 Entering Gaussian System, Link 0=g16
 Input=19_methylcyclohexanone_Chair_STD_M11-augccpVDZr.in
 Output=19_methylcyclohexanone_Chair_STD_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/19_methylcyclohexanone_Chair_STD/Gau-5594.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/19_methylcyclohexanone_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      5596.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=19_methylcyclohexanone_Chair_STD_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 19:56:47 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "19_methylcyclohexanone_Chair_STD_M11-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.277695000000     -0.308554000000      0.104897000000
  C                                                 1.175743000000      1.198361000000     -0.017190000000
  C                                                -0.229896000000      1.635230000000     -0.460001000000
  C                                                -1.314447000000      1.003685000000      0.413155000000
  C                                                -1.220070000000     -0.528631000000      0.454249000000
  C                                                 0.183893000000     -0.956062000000      0.929807000000
  O                                                 2.160019000000     -0.945956000000     -0.423269000000
  H                                                 1.949005000000      1.548357000000     -0.699939000000
  H                                                 1.382913000000      1.620529000000      0.973456000000
  H                                                -0.380069000000      1.352660000000     -1.504779000000
  H                                                -0.302484000000      2.723979000000     -0.423105000000
  H                                                -2.302821000000      1.300947000000      0.053848000000
  H                                                -1.222375000000      1.391636000000      1.433196000000
  C                                                -1.562572000000     -1.173371000000     -0.890254000000
  H                                                -1.943141000000     -0.891173000000      1.190510000000
  H                                                 0.310624000000     -2.037815000000      0.892211000000
  H                                                 0.321376000000     -0.633428000000      1.968024000000
  H                                                -0.841880000000     -0.909433000000     -1.666448000000
  H                                                -2.551661000000     -0.861028000000     -1.231130000000
  H                                                -1.561715000000     -2.261533000000     -0.807673000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1          12           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           0           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Jul  8 19:56:48 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.277695   -0.308554    0.104897
      2          6           0        1.175743    1.198361   -0.017190
      3          6           0       -0.229896    1.635230   -0.460001
      4          6           0       -1.314447    1.003685    0.413155
      5          6           0       -1.220070   -0.528631    0.454249
      6          6           0        0.183893   -0.956062    0.929807
      7          8           0        2.160019   -0.945956   -0.423269
      8          1           0        1.949005    1.548357   -0.699939
      9          1           0        1.382913    1.620529    0.973456
     10          1           0       -0.380069    1.352660   -1.504779
     11          1           0       -0.302484    2.723979   -0.423105
     12          1           0       -2.302821    1.300947    0.053848
     13          1           0       -1.222375    1.391636    1.433196
     14          6           0       -1.562572   -1.173371   -0.890254
     15          1           0       -1.943141   -0.891173    1.190510
     16          1           0        0.310624   -2.037815    0.892211
     17          1           0        0.321376   -0.633428    1.968024
     18          1           0       -0.841880   -0.909433   -1.666448
     19          1           0       -2.551661   -0.861028   -1.231130
     20          1           0       -1.561715   -2.261533   -0.807673
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.515286   0.000000
     3  C    2.523933   1.537126   0.000000
     4  C    2.921677   2.534589   1.528889   0.000000
     5  C    2.531662   2.990765   2.549234   1.535770   0.000000
     6  C    1.515304   2.553842   2.969441   2.520429   1.542713
     7  O    1.209850   2.394117   3.517892   4.070948   3.516987
     8  H    2.132261   1.089301   2.193793   3.490811   3.960942
     9  H    2.118213   1.096597   2.157816   2.823152   3.415258
    10  H    2.845851   2.158073   1.092684   2.161786   2.843000
    11  H    3.460059   2.162737   1.091790   2.163980   3.491588
    12  H    3.925964   3.480801   2.161667   1.092863   2.163337
    13  H    3.302329   2.809261   2.151406   1.095202   2.155404
    14  C    3.131350   3.726355   3.138373   2.549512   1.529930
    15  H    3.448447   3.943619   3.470174   2.142434   1.093777
    16  H    2.132002   3.471063   3.951190   3.481533   2.193735
    17  H    2.119276   2.833102   3.368385   2.788131   2.162996
    18  H    2.826892   3.351664   2.881900   2.864976   2.187554
    19  H    4.093185   4.428123   3.495216   2.776963   2.173505
    20  H    3.564991   4.482121   4.132721   3.494740   2.170741
                    6          7          8          9         10
     6  C    0.000000
     7  O    2.394993   0.000000
     8  H    3.470419   2.518466   0.000000
     9  H    2.842248   3.023505   1.768027   0.000000
    10  H    3.402273   3.592401   2.471973   3.053114   0.000000
    11  H    3.950903   4.419541   2.554981   2.451234   1.748300
    12  H    3.470611   5.019278   4.325209   3.812145   2.475675
    13  H    2.782566   4.511251   3.825242   2.655424   3.056582
    14  C    2.531795   3.758654   4.446931   4.467121   2.856009
    15  H    2.143933   4.409445   4.967283   4.173535   3.839605
    16  H    1.089800   2.518513   4.252042   3.813120   4.209268
    17  H    1.095851   3.032584   3.811481   2.682601   4.061641
    18  H    2.791939   3.249342   3.842383   4.280129   2.314405
    19  H    3.487397   4.781190   5.132572   5.147737   3.113055
    20  H    2.787515   3.966083   5.181894   5.187838   3.865829
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.500770   0.000000
    13  H    2.463167   1.754477   0.000000
    14  C    4.122546   2.749827   3.477559   0.000000
    15  H    4.285421   2.495348   2.406162   2.134021   0.000000
    16  H    4.978016   4.322069   3.795245   2.726409   2.546218
    17  H    4.168799   3.780514   2.601940   3.465624   2.408111
    18  H    3.877955   3.159042   3.879109   1.091576   3.061914
    19  H    4.308593   2.527296   3.733648   1.091811   2.497107
    20  H    5.156441   3.739348   4.299103   1.091291   2.452775
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.769122   0.000000
    18  H    3.024607   3.826059   0.000000
    19  H    3.753143   4.305895   1.764992   0.000000
    20  H    2.538761   3.728438   1.756084   1.766557   0.000000
 Stoichiometry    C7H12O
 Framework group  C1[X(C7H12O)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.89D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.277695   -0.308554    0.104897
      2          6           0        1.175743    1.198361   -0.017190
      3          6           0       -0.229896    1.635230   -0.460001
      4          6           0       -1.314447    1.003685    0.413155
      5          6           0       -1.220070   -0.528631    0.454249
      6          6           0        0.183893   -0.956062    0.929807
      7          8           0        2.160019   -0.945956   -0.423269
      8          1           0        1.949005    1.548357   -0.699939
      9          1           0        1.382913    1.620529    0.973456
     10          1           0       -0.380069    1.352660   -1.504779
     11          1           0       -0.302484    2.723979   -0.423105
     12          1           0       -2.302821    1.300947    0.053848
     13          1           0       -1.222375    1.391636    1.433196
     14          6           0       -1.562572   -1.173371   -0.890254
     15          1           0       -1.943141   -0.891173    1.190510
     16          1           0        0.310624   -2.037815    0.892211
     17          1           0        0.321376   -0.633428    1.968024
     18          1           0       -0.841880   -0.909433   -1.666448
     19          1           0       -2.551661   -0.861028   -1.231130
     20          1           0       -1.561715   -2.261533   -0.807673
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.7433685           1.9933769           1.4701036
 Leave Link  202 at Thu Jul  8 19:56:48 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     15     16     17     18
 Centers:      19     20
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6     14
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 320 were deleted.
 There are   308 symmetry adapted cartesian basis functions of A   symmetry.
 There are   292 symmetry adapted basis functions of A   symmetry.
   292 basis functions,   520 primitive gaussians,   308 cartesian basis functions
    31 alpha electrons       31 beta electrons
       nuclear repulsion energy       394.1249269825 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jul  8 19:56:51 2021, MaxMem= 10737418240 cpu:              34.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   292 RedAO= T EigKep=  1.06D-05  NBF=   292
 NBsUse=   292 1.00D-06 EigRej= -1.00D+00 NBFU=   292
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   308   308   308   308   308 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Thu Jul  8 19:56:51 2021, MaxMem= 10737418240 cpu:               7.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 19:56:52 2021, MaxMem= 10737418240 cpu:               1.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "19_methylcyclohexanone_Chair_STD_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 19:56:53 2021, MaxMem= 10737418240 cpu:               7.1 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737220520 LenY= 10737125215
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -349.017308848119    
 DIIS: error= 3.33D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -349.017308848119     IErMin= 1 ErrMin= 3.33D-03
 ErrMax= 3.33D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.40D-03 BMatP= 9.40D-03
 IDIUse=3 WtCom= 9.67D-01 WtEn= 3.33D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.411 Goal=   None    Shift=    0.000
 GapD=    0.411 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.24D-02 MaxDP=1.39D+00              OVMax= 1.82D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.20D-02    CP:  1.13D+00
 E= -349.026716855920     Delta-E=       -0.009408007801 Rises=F Damp=F
 DIIS: error= 8.07D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -349.026716855920     IErMin= 2 ErrMin= 8.07D-04
 ErrMax= 8.07D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.23D-04 BMatP= 9.40D-03
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.07D-03
 Coeff-Com:  0.159D-01 0.984D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.158D-01 0.984D+00
 Gap=     0.340 Goal=   None    Shift=    0.000
 RMSDP=2.17D-03 MaxDP=1.98D-01 DE=-9.41D-03 OVMax= 8.90D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.09D-03    CP:  1.15D+00  1.15D+00
 E= -349.026788715455     Delta-E=       -0.000071859535 Rises=F Damp=F
 DIIS: error= 9.04D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -349.026788715455     IErMin= 2 ErrMin= 8.07D-04
 ErrMax= 9.04D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.76D-04 BMatP= 5.23D-04
 IDIUse=3 WtCom= 2.50D-01 WtEn= 7.50D-01
 Coeff-Com: -0.496D-01 0.557D+00 0.493D+00
 Coeff-En:   0.000D+00 0.453D+00 0.547D+00
 Coeff:     -0.124D-01 0.479D+00 0.533D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=2.80D-04 MaxDP=2.45D-02 DE=-7.19D-05 OVMax= 5.64D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.75D-04    CP:  1.16D+00  1.17D+00  1.04D+00
 E= -349.027236503051     Delta-E=       -0.000447787596 Rises=F Damp=F
 DIIS: error= 2.29D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -349.027236503051     IErMin= 4 ErrMin= 2.29D-04
 ErrMax= 2.29D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.17D-05 BMatP= 5.23D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.29D-03
 Coeff-Com: -0.692D-02-0.410D-01 0.181D+00 0.867D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.691D-02-0.409D-01 0.181D+00 0.867D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=1.91D-04 MaxDP=1.09D-02 DE=-4.48D-04 OVMax= 1.28D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.79D-05    CP:  1.16D+00  1.18D+00  1.17D+00  1.05D+00
 E= -349.027269578544     Delta-E=       -0.000033075493 Rises=F Damp=F
 DIIS: error= 2.67D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -349.027269578544     IErMin= 5 ErrMin= 2.67D-05
 ErrMax= 2.67D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.80D-07 BMatP= 4.17D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.193D-02-0.583D-01 0.118D-01 0.263D+00 0.781D+00
 Coeff:      0.193D-02-0.583D-01 0.118D-01 0.263D+00 0.781D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=3.45D-05 MaxDP=2.84D-03 DE=-3.31D-05 OVMax= 2.52D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.08D-05    CP:  1.16D+00  1.17D+00  1.19D+00  1.07D+00  1.20D+00
 E= -349.027270561217     Delta-E=       -0.000000982673 Rises=F Damp=F
 DIIS: error= 8.27D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -349.027270561217     IErMin= 6 ErrMin= 8.27D-06
 ErrMax= 8.27D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.40D-08 BMatP= 8.80D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.912D-03-0.923D-02-0.101D-01 0.156D-03 0.177D+00 0.842D+00
 Coeff:      0.912D-03-0.923D-02-0.101D-01 0.156D-03 0.177D+00 0.842D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=6.79D-06 MaxDP=5.44D-04 DE=-9.83D-07 OVMax= 6.93D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.90D-06    CP:  1.16D+00  1.17D+00  1.20D+00  1.08D+00  1.25D+00
                    CP:  1.06D+00
 E= -349.027270625518     Delta-E=       -0.000000064301 Rises=F Damp=F
 DIIS: error= 1.92D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -349.027270625518     IErMin= 7 ErrMin= 1.92D-06
 ErrMax= 1.92D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.35D-09 BMatP= 4.40D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.116D-04 0.261D-02-0.288D-02-0.204D-01-0.309D-01 0.151D+00
 Coeff-Com:  0.900D+00
 Coeff:      0.116D-04 0.261D-02-0.288D-02-0.204D-01-0.309D-01 0.151D+00
 Coeff:      0.900D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=3.55D-06 MaxDP=4.30D-04 DE=-6.43D-08 OVMax= 2.40D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.12D-06    CP:  1.16D+00  1.17D+00  1.19D+00  1.07D+00  1.27D+00
                    CP:  1.11D+00  1.12D+00
 E= -349.027270630915     Delta-E=       -0.000000005397 Rises=F Damp=F
 DIIS: error= 6.51D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -349.027270630915     IErMin= 8 ErrMin= 6.51D-07
 ErrMax= 6.51D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.27D-10 BMatP= 3.35D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.597D-04 0.139D-02 0.459D-05-0.554D-02-0.228D-01-0.269D-01
 Coeff-Com:  0.231D+00 0.822D+00
 Coeff:     -0.597D-04 0.139D-02 0.459D-05-0.554D-02-0.228D-01-0.269D-01
 Coeff:      0.231D+00 0.822D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=5.72D-07 MaxDP=2.47D-05 DE=-5.40D-09 OVMax= 8.13D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.32D-07    CP:  1.16D+00  1.17D+00  1.19D+00  1.07D+00  1.27D+00
                    CP:  1.11D+00  1.19D+00  1.15D+00
 E= -349.027270631409     Delta-E=       -0.000000000494 Rises=F Damp=F
 DIIS: error= 1.73D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -349.027270631409     IErMin= 9 ErrMin= 1.73D-07
 ErrMax= 1.73D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.15D-11 BMatP= 3.27D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.132D-04 0.329D-04 0.279D-03 0.771D-03-0.141D-02-0.171D-01
 Coeff-Com: -0.318D-01 0.131D+00 0.919D+00
 Coeff:     -0.132D-04 0.329D-04 0.279D-03 0.771D-03-0.141D-02-0.171D-01
 Coeff:     -0.318D-01 0.131D+00 0.919D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=1.80D-07 MaxDP=9.15D-06 DE=-4.94D-10 OVMax= 4.35D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.25D-07    CP:  1.16D+00  1.17D+00  1.19D+00  1.07D+00  1.27D+00
                    CP:  1.11D+00  1.20D+00  1.23D+00  1.18D+00
 E= -349.027270631466     Delta-E=       -0.000000000057 Rises=F Damp=F
 DIIS: error= 6.84D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -349.027270631466     IErMin=10 ErrMin= 6.84D-08
 ErrMax= 6.84D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.56D-12 BMatP= 2.15D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.459D-05-0.130D-03 0.295D-04 0.633D-03 0.194D-02 0.617D-03
 Coeff-Com: -0.248D-01-0.662D-01 0.993D-01 0.989D+00
 Coeff:      0.459D-05-0.130D-03 0.295D-04 0.633D-03 0.194D-02 0.617D-03
 Coeff:     -0.248D-01-0.662D-01 0.993D-01 0.989D+00
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=5.97D-08 MaxDP=2.56D-06 DE=-5.68D-11 OVMax= 2.60D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.39D-08    CP:  1.16D+00  1.17D+00  1.19D+00  1.07D+00  1.27D+00
                    CP:  1.11D+00  1.20D+00  1.25D+00  1.26D+00  1.18D+00
 E= -349.027270631485     Delta-E=       -0.000000000019 Rises=F Damp=F
 DIIS: error= 3.89D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -349.027270631485     IErMin=11 ErrMin= 3.89D-08
 ErrMax= 3.89D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.71D-13 BMatP= 2.56D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.155D-05-0.431D-05-0.358D-04-0.802D-04 0.141D-03 0.193D-02
 Coeff-Com:  0.368D-02-0.148D-01-0.109D+00 0.425D-02 0.111D+01
 Coeff:      0.155D-05-0.431D-05-0.358D-04-0.802D-04 0.141D-03 0.193D-02
 Coeff:      0.368D-02-0.148D-01-0.109D+00 0.425D-02 0.111D+01
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=2.55D-08 MaxDP=1.09D-06 DE=-1.93D-11 OVMax= 1.66D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.65D-08    CP:  1.16D+00  1.17D+00  1.19D+00  1.07D+00  1.27D+00
                    CP:  1.11D+00  1.20D+00  1.25D+00  1.27D+00  1.26D+00
                    CP:  1.34D+00
 E= -349.027270631482     Delta-E=        0.000000000003 Rises=F Damp=F
 DIIS: error= 1.90D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -349.027270631485     IErMin=12 ErrMin= 1.90D-08
 ErrMax= 1.90D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-13 BMatP= 4.71D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.105D-05 0.318D-04-0.101D-04-0.159D-03-0.455D-03 0.258D-04
 Coeff-Com:  0.642D-02 0.153D-01-0.338D-01-0.245D+00 0.104D+00 0.115D+01
 Coeff:     -0.105D-05 0.318D-04-0.101D-04-0.159D-03-0.455D-03 0.258D-04
 Coeff:      0.642D-02 0.153D-01-0.338D-01-0.245D+00 0.104D+00 0.115D+01
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=1.43D-08 MaxDP=6.53D-07 DE= 2.73D-12 OVMax= 1.06D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  7.28D-09    CP:  1.16D+00  1.17D+00  1.19D+00  1.07D+00  1.27D+00
                    CP:  1.12D+00  1.20D+00  1.24D+00  1.27D+00  1.27D+00
                    CP:  1.56D+00  1.50D+00
 E= -349.027270631510     Delta-E=       -0.000000000028 Rises=F Damp=F
 DIIS: error= 5.82D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -349.027270631510     IErMin=13 ErrMin= 5.82D-09
 ErrMax= 5.82D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.48D-14 BMatP= 1.12D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.378D-06 0.508D-05 0.480D-05-0.117D-04-0.829D-04-0.309D-03
 Coeff-Com:  0.263D-03 0.427D-02 0.144D-01-0.350D-01-0.173D+00 0.168D+00
 Coeff-Com:  0.102D+01
 Coeff:     -0.378D-06 0.508D-05 0.480D-05-0.117D-04-0.829D-04-0.309D-03
 Coeff:      0.263D-03 0.427D-02 0.144D-01-0.350D-01-0.173D+00 0.168D+00
 Coeff:      0.102D+01
 Gap=     0.334 Goal=   None    Shift=    0.000
 RMSDP=5.45D-09 MaxDP=3.95D-07 DE=-2.77D-11 OVMax= 3.53D-07

 SCF Done:  E(RM11) =  -349.027270632     A.U. after   13 cycles
            NFock= 13  Conv=0.55D-08     -V/T= 2.0069
 KE= 3.466354650918D+02 PE=-1.599123231850D+03 EE= 5.093355691440D+02
 Leave Link  502 at Thu Jul  8 19:59:31 2021, MaxMem= 10737418240 cpu:            2529.2 elap:             158.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   292
 NBasis=   292 NAE=    31 NBE=    31 NFC=     0 NFV=     0
 NROrb=    292 NOA=    31 NOB=    31 NVA=   261 NVB=   261

 **** Warning!!: The largest alpha MO coefficient is  0.68040868D+02

 Leave Link  801 at Thu Jul  8 19:59:32 2021, MaxMem= 10737418240 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6192 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.35D-13 8.33D-09 XBig12= 1.00D+00 1.94D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.35D-13 8.33D-09 XBig12= 1.20D-01 5.91D-02.
     11 vectors produced by pass  2 Test12= 1.35D-13 8.33D-09 XBig12= 1.52D-02 2.44D-02.
     11 vectors produced by pass  3 Test12= 1.35D-13 8.33D-09 XBig12= 1.41D-03 7.17D-03.
     11 vectors produced by pass  4 Test12= 1.35D-13 8.33D-09 XBig12= 6.09D-05 1.05D-03.
     11 vectors produced by pass  5 Test12= 1.35D-13 8.33D-09 XBig12= 1.61D-06 3.62D-04.
     11 vectors produced by pass  6 Test12= 1.35D-13 8.33D-09 XBig12= 5.22D-08 6.12D-05.
     11 vectors produced by pass  7 Test12= 1.35D-13 8.33D-09 XBig12= 1.44D-09 7.28D-06.
     11 vectors produced by pass  8 Test12= 1.35D-13 8.33D-09 XBig12= 3.35D-11 6.82D-07.
     11 vectors produced by pass  9 Test12= 1.35D-13 8.33D-09 XBig12= 5.55D-13 1.11D-07.
      4 vectors produced by pass 10 Test12= 1.35D-13 8.33D-09 XBig12= 1.07D-14 1.47D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.49D-14
 Solved reduced A of dimension   114 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.923799D+02
      2 -0.146042D+01  0.900028D+02
      3 -0.232604D+01  0.432788D+00  0.783868D+02
 Isotropic polarizability for W=    0.093368       86.92 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.306137D+02 -0.199127D+02 -0.266458D+02
      2   0.176461D+02  0.213935D+02  0.118747D+01
      3   0.129676D+02 -0.148073D+01  0.254584D+02
      4  -0.222895D+01 -0.244297D+02 -0.122564D+01
      5  -0.232940D+02 -0.120113D+01 -0.363811D+02
      6   0.978214D+00 -0.280644D+01  0.933963D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.991334D+00  0.370623D+01 -0.375384D+01
      2  -0.123209D+02  0.888266D-01 -0.177044D+02
      3   0.113126D+02  0.127599D+02  0.106803D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1   0.245125D-01 -0.399391D+01 -0.108204D+02
      2  -0.335181D+01 -0.220385D+01 -0.493487D+02
      3   0.176838D+02  0.420757D+02  0.217934D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1   0.584559D+00  0.123544D+01 -0.103177D+01
      2   0.123544D+01 -0.512613D+00  0.326996D+00
      3  -0.103177D+01  0.326996D+00  0.935815D-01
 OR G Eigenvalues:    -1.7334     0.1744     1.7245  Iso=    -0.0552
 Eigenvectors:
   (1)  -0.567338   0.693228  -0.444481
   (2)   0.131838   0.609256   0.781937
   (3)   0.812863   0.385023  -0.437048
 w=    0.093368 a.u., Optical Rotation Beta=     -0.0552 au.
 Molar Mass =    112.1712 grams/mole, [Alpha] ( 4880.0 A) =      -27.73 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   42778 ScalPx= 1.09D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   42778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.71D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.25D-14 2.78D-09 XBig12= 1.00D+00 3.79D-01.
     30 vectors produced by pass  1 Test12= 2.25D-14 2.78D-09 XBig12= 2.04D-02 2.70D-02.
     30 vectors produced by pass  2 Test12= 2.25D-14 2.78D-09 XBig12= 1.47D-03 7.84D-03.
     30 vectors produced by pass  3 Test12= 2.25D-14 2.78D-09 XBig12= 2.06D-05 6.34D-04.
     30 vectors produced by pass  4 Test12= 2.25D-14 2.78D-09 XBig12= 2.77D-07 6.18D-05.
     30 vectors produced by pass  5 Test12= 2.25D-14 2.78D-09 XBig12= 2.66D-09 4.88D-06.
     30 vectors produced by pass  6 Test12= 2.25D-14 2.78D-09 XBig12= 2.56D-11 4.94D-07.
     30 vectors produced by pass  7 Test12= 2.25D-14 2.78D-09 XBig12= 2.52D-13 5.22D-08.
      4 vectors produced by pass  8 Test12= 2.25D-14 2.78D-09 XBig12= 1.93D-15 3.30D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   244 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   42778 ScalPx= 2.43D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   42778 ScalPx= 2.43D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   42778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.99D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.923799D+02 -0.146042D+01 -0.232604D+01
      2  -0.146042D+01  0.900028D+02  0.432788D+00
      3  -0.232604D+01  0.432788D+00  0.783868D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.991334D+00  0.370623D+01 -0.375384D+01
      2  -0.123209D+02  0.888266D-01 -0.177044D+02
      3   0.113126D+02  0.127599D+02  0.106803D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.306137D+02 -0.199127D+02 -0.266458D+02
      2   0.176461D+02  0.213935D+02  0.118747D+01
      3   0.129676D+02 -0.148073D+01  0.254584D+02
      4  -0.222895D+01 -0.244297D+02 -0.122564D+01
      5  -0.232940D+02 -0.120113D+01 -0.363811D+02
      6   0.978214D+00 -0.280644D+01  0.933963D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.297151D+01  0.479347D+01  0.691298D+00  0.425252D+01 -0.160578D+01
      2   0.479347D+01  0.633621D+00 -0.257672D+01 -0.160578D+01 -0.360354D+01
      3   0.691298D+00 -0.257672D+01  0.102472D+01 -0.202266D+01  0.173299D+01
                 6             7             8             9            10 
      1  -0.202266D+01  0.117862D+01 -0.268569D+01  0.112545D+00  0.184431D+00
      2   0.173299D+01 -0.268569D+01  0.489961D+00  0.214340D+01 -0.407708D+01
      3   0.151167D+01  0.112545D+00  0.214340D+01  0.932696D+00  0.269956D+01
                11            12            13            14            15 
      1  -0.407708D+01  0.269956D+01 -0.373689D+01  0.521808D+00  0.632678D+00
      2  -0.761588D+00  0.621165D+00  0.521808D+00  0.337889D+01 -0.159067D+01
      3   0.621165D+00 -0.282527D+01  0.632678D+00 -0.159067D+01 -0.247661D+01
                16            17            18            19            20 
      1   0.427098D+01  0.493527D+00 -0.342461D+01 -0.306366D+01  0.335965D+01
      2   0.493527D+00 -0.149209D+01 -0.368185D+01  0.335965D+01 -0.130041D+00
      3  -0.342461D+01 -0.368185D+01 -0.338884D+01 -0.193736D+01 -0.180121D+00
                21            22            23            24            25 
      1  -0.193736D+01  0.238333D+01  0.883593D+00 -0.682449D-01 -0.236216D+01
      2  -0.180121D+00  0.883593D+00 -0.878074D+01  0.584988D+00  0.257869D-01
      3   0.185160D+01 -0.682449D-01  0.584988D+00  0.220351D+01  0.194729D+01
                26            27            28            29            30 
      1   0.257869D-01  0.194729D+01  0.632973D+01 -0.382003D+01  0.301238D+01
      2  -0.651863D+00  0.216567D+01 -0.382003D+01  0.927116D-01 -0.868004D-01
      3   0.216567D+01  0.636610D+01  0.301238D+01 -0.868004D-01 -0.101465D+01
                31            32            33            34            35 
      1  -0.353718D+01 -0.170726D+00  0.733470D-01  0.429366D+01 -0.282433D+00
      2  -0.170726D+00  0.461660D+01 -0.408294D+00 -0.282433D+00 -0.804036D+00
      3   0.733470D-01 -0.408294D+00 -0.293216D+01 -0.604216D+00 -0.396621D+01
                36            37            38            39            40 
      1  -0.604216D+00 -0.391986D+01  0.327704D+01 -0.407332D+01  0.419068D+01
      2  -0.396621D+01  0.327704D+01  0.120448D+01 -0.484537D-01  0.875242D+00
      3  -0.616229D+01 -0.407332D+01 -0.484537D-01  0.296785D+01 -0.112523D+00
                41            42            43            44            45 
      1   0.875242D+00 -0.112523D+00 -0.488218D+01 -0.183225D+00  0.373569D+01
      2  -0.529306D+01 -0.190450D-02 -0.183225D+00  0.359522D+00  0.407713D+01
      3  -0.190450D-02  0.351901D+01  0.373569D+01  0.407713D+01  0.134940D+01
                46            47            48            49            50 
      1   0.429176D+01 -0.308012D+01  0.192685D+01 -0.211380D+01 -0.182466D+01
      2  -0.308012D+01 -0.197448D+01  0.750135D+00 -0.182466D+01  0.761774D+01
      3   0.192685D+01  0.750135D+00 -0.154730D+01  0.273077D+00 -0.322307D+00
                51            52            53            54            55 
      1   0.273077D+00  0.151746D+01  0.283031D+00 -0.951611D+00  0.108702D+02
      2  -0.322307D+00  0.283031D+00  0.936598D+00 -0.251829D+01 -0.492582D+01
      3  -0.305399D+01 -0.951611D+00 -0.251829D+01 -0.573040D+01 -0.261135D+01
                56            57            58            59            60 
      1  -0.492582D+01 -0.261135D+01 -0.469632D+01  0.448528D+01  0.148621D+01
      2   0.231318D+01  0.141942D+01  0.448528D+01 -0.392642D+01 -0.208551D+01
      3   0.141942D+01  0.113295D+01  0.148621D+01 -0.208551D+01 -0.142882D+01
                61            62            63            64            65 
      1  -0.332190D+01  0.205886D+01  0.329996D+01  0.585581D+01  0.259072D+01
      2   0.205886D+01 -0.146511D+01 -0.275228D+01  0.259072D+01  0.214334D+01
      3   0.329996D+01 -0.275228D+01 -0.317807D+01 -0.247768D+01 -0.101779D+01
                66            67            68            69            70 
      1  -0.247768D+01  0.187492D+01  0.174408D+01 -0.587227D+00 -0.357576D+01
      2  -0.101779D+01  0.174408D+01  0.148330D+01 -0.954343D+00 -0.138039D+01
      3   0.188182D+01 -0.587227D+00 -0.954343D+00  0.101771D+01  0.255941D+01
                71            72            73            74            75 
      1  -0.138039D+01  0.255941D+01  0.908062D+00  0.163995D+01  0.107847D+01
      2  -0.161631D+01  0.182251D+01  0.163995D+01  0.602170D+00  0.551101D+00
      3   0.182251D+01 -0.256651D+01  0.107847D+01  0.551101D+00  0.106805D+01
                76            77            78            79            80 
      1   0.144870D+01  0.751510D+00  0.574893D+00  0.172157D+01  0.830214D+00
      2   0.751510D+00  0.231741D+01  0.202787D+01  0.830214D+00  0.328036D+01
      3   0.574893D+00  0.202787D+01  0.202734D+01  0.209781D+01  0.283661D+01
                81            82            83            84            85 
      1   0.209781D+01 -0.345272D+00 -0.516406D+00 -0.963829D+00 -0.882541D+00
      2   0.283661D+01 -0.516406D+00 -0.252167D+00  0.343983D-01 -0.541429D+00
      3   0.578085D+01 -0.963829D+00  0.343983D-01 -0.865727D+00 -0.249518D+00
                86            87            88            89            90 
      1  -0.541429D+00 -0.249518D+00 -0.148232D+01 -0.127036D+00 -0.126020D+01
      2   0.148964D+00 -0.117018D+01 -0.127036D+00 -0.122931D+01  0.209472D+00
      3  -0.117018D+01 -0.118764D+01 -0.126020D+01  0.209472D+00 -0.810886D+01
                91            92            93            94            95 
      1  -0.124634D+00  0.131959D+01  0.173318D+00  0.144790D+01 -0.992044D+00
      2   0.131959D+01 -0.742171D+00  0.584335D-01 -0.992044D+00  0.127938D+02
      3   0.173318D+00  0.584335D-01 -0.348563D+00  0.901438D-01 -0.125707D+01
                96            97            98            99           100 
      1   0.901438D-01  0.458526D+00 -0.216841D-01 -0.404033D+00 -0.975664D+01
      2  -0.125707D+01 -0.216841D-01  0.104997D+00  0.122329D+01  0.298984D+01
      3   0.870245D+00 -0.404033D+00  0.122329D+01 -0.820894D+00 -0.124274D+01
               101           102           103           104           105 
      1   0.298984D+01 -0.124274D+01  0.228792D+01 -0.207715D+01  0.175012D+00
      2  -0.226749D+01  0.299924D+00 -0.207715D+01  0.121068D+01 -0.371769D+00
      3   0.299924D+00 -0.103536D+01  0.175012D+00 -0.371769D+00  0.692996D+00
               106           107           108           109           110 
      1  -0.250668D+01  0.732256D+00 -0.142597D+01 -0.515945D+00  0.101851D+01
      2   0.732256D+00 -0.888678D+00  0.104686D+01  0.101851D+01  0.261012D+00
      3  -0.142597D+01  0.104686D+01 -0.320382D+00  0.857978D+00  0.483067D-01
               111           112           113           114           115 
      1   0.857978D+00  0.894804D+00 -0.152615D+00 -0.340399D+00  0.103283D+01
      2   0.483067D-01 -0.152615D+00  0.172926D+01  0.213523D+01 -0.261952D+00
      3   0.377198D+00 -0.340399D+00  0.213523D+01  0.239314D+01 -0.856826D+00
               116           117           118           119           120 
      1  -0.261952D+00 -0.856826D+00  0.488797D+01 -0.216006D+01  0.419371D+01
      2   0.280158D+01  0.314291D+01 -0.216006D+01 -0.442341D+00 -0.430559D+00
      3   0.314291D+01  0.795841D+01  0.419371D+01 -0.430559D+00 -0.162453D+01
               121           122           123           124           125 
      1  -0.311789D+01  0.351869D+00 -0.929680D+00  0.366749D+01 -0.527316D+00
      2   0.351869D+00  0.771565D+01 -0.239302D+00 -0.527316D+00 -0.144288D+01
      3  -0.929680D+00 -0.239302D+00 -0.275518D+01 -0.249583D+01 -0.301053D+01
               126           127           128           129           130 
      1  -0.249583D+01 -0.526259D+01 -0.208275D+01  0.328459D+01 -0.201704D+01
      2  -0.301053D+01 -0.208275D+01 -0.168758D+01  0.863345D+00 -0.182446D+01
      3  -0.498664D+00  0.328459D+01  0.863345D+00 -0.301253D+01  0.864636D+00
               131           132           133           134           135 
      1  -0.182446D+01  0.864636D+00  0.356939D+01  0.103133D+01 -0.331847D+01
      2  -0.111838D+01  0.134992D+01  0.103133D+01  0.144083D+01 -0.190946D+01
      3   0.134992D+01 -0.171023D+01 -0.331847D+01 -0.190946D+01  0.428562D+01
               136           137           138           139           140 
      1   0.259246D+00 -0.114024D+01 -0.135006D+00 -0.141235D+01  0.102275D+01
      2  -0.114024D+01  0.111921D+01 -0.320361D+00  0.102275D+01 -0.971463D+01
      3  -0.135006D+00 -0.320361D+00  0.303408D+00 -0.349554D+00  0.148546D+01
               141           142           143           144           145 
      1  -0.349554D+00 -0.410851D+00 -0.298195D-01  0.287795D+00 -0.327053D+00
      2   0.148546D+01 -0.298195D-01 -0.222528D+00 -0.101631D+01  0.547669D+00
      3  -0.121980D+01  0.287795D+00 -0.101631D+01  0.920622D+00  0.118060D+01
               146           147           148           149           150 
      1   0.547669D+00  0.118060D+01  0.123447D+01  0.419865D+00  0.520874D-01
      2   0.253008D+00 -0.148654D+00  0.419865D+00 -0.702538D-01  0.123839D+01
      3  -0.148654D+00  0.109483D+01  0.520874D-01  0.123839D+01  0.181554D+01
               151           152           153           154           155 
      1   0.148835D+01  0.845217D-01  0.964160D+00  0.206462D+01  0.846545D+00
      2   0.845217D-01  0.118938D+01  0.373515D+00  0.846545D+00  0.121136D+01
      3   0.964160D+00  0.373515D+00  0.964678D+01 -0.176701D+01  0.123389D+00
               156           157           158           159           160 
      1  -0.176701D+01  0.943574D+00  0.726687D+00 -0.731154D-01 -0.211230D+01
      2   0.123389D+00  0.726687D+00  0.486382D-01 -0.588648D+00 -0.255825D+00
      3   0.265547D+01 -0.731154D-01 -0.588648D+00  0.937043D+00  0.149873D+01
               161           162           163           164           165 
      1  -0.255825D+00  0.149873D+01 -0.853122D+01  0.409891D+00 -0.338557D+01
      2  -0.941170D+00  0.295364D+00  0.409891D+00 -0.139578D+01 -0.173868D-01
      3   0.295364D+00 -0.466818D+01 -0.338557D+01 -0.173868D-01 -0.228154D+01
               166           167           168           169           170 
      1   0.189717D+01 -0.111610D+01  0.841485D+00 -0.239854D+01  0.169426D+00
      2  -0.111610D+01 -0.768539D-01 -0.419688D+00  0.169426D+00 -0.220781D+00
      3   0.841485D+00 -0.419688D+00  0.107896D+01 -0.186215D+01  0.349875D+00
               171           172           173           174           175 
      1  -0.186215D+01 -0.833427D+00 -0.990365D+00 -0.504878D+00 -0.134198D+01
      2   0.349875D+00 -0.990365D+00 -0.180441D+00  0.572246D-01 -0.147773D+01
      3  -0.179347D+01 -0.504878D+00  0.572246D-01  0.197582D+00 -0.330649D+00
               176           177           178           179           180 
      1  -0.147773D+01 -0.330649D+00 -0.146179D+00  0.464113D-01  0.100531D+00
      2  -0.104771D+02 -0.114514D+01  0.464113D-01  0.371533D+00 -0.831666D+00
      3  -0.114514D+01 -0.130274D+01  0.100531D+00 -0.831666D+00 -0.392499D-02
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.878255D+01  0.107828D+02 -0.266955D+01  0.970410D+01 -0.463653D+00
      2  -0.939035D+01 -0.114072D+02 -0.825897D-01 -0.872565D+01  0.149529D+01
      3  -0.688169D+01 -0.107853D+02  0.401141D+01  0.979816D+00  0.114657D+00
                 6             7             8             9            10 
      1   0.749479D+01 -0.267638D+00  0.171523D+02 -0.583062D+01 -0.789443D+01
      2  -0.139922D+01 -0.114170D+02 -0.355906D+01  0.125386D+02  0.916332D+01
      3  -0.840342D+01  0.718296D+00 -0.111178D+02  0.235909D+01  0.132433D+02
                11            12            13            14            15 
      1  -0.371217D+00  0.326935D+01 -0.326763D+01  0.123151D+01 -0.121436D+01
      2   0.159336D+01 -0.272081D+01  0.248932D+01 -0.269357D+01 -0.262618D+01
      3  -0.790713D+01  0.315779D+01 -0.443086D+00 -0.572815D+01  0.477574D+01
                16            17            18            19            20 
      1   0.327946D+01  0.932320D+01  0.756255D+01  0.558408D+01 -0.182203D+01
      2  -0.860169D+01 -0.443997D+01 -0.664329D+01 -0.136636D+01  0.183191D+01
      3   0.496888D+01  0.284993D+01 -0.916214D+00 -0.827510D+01  0.899302D+01
                21            22            23            24            25 
      1  -0.267413D+01  0.164361D+01  0.217952D+01 -0.735408D+01 -0.299049D+01
      2   0.215366D+00 -0.444150D+00  0.397807D+01 -0.106471D+01 -0.578125D+01
      3  -0.570412D+01  0.100321D+02  0.187223D+01 -0.192291D+01 -0.624942D+01
                26            27            28            29            30 
      1  -0.135174D+01 -0.137067D+02 -0.581421D+01  0.515617D+00  0.108376D+01
      2  -0.149288D+00  0.424573D+00 -0.106619D+02  0.149589D+01  0.270061D+01
      3  -0.139703D+01  0.380756D+01  0.619639D+00 -0.911147D+01  0.396266D+01
                31            32            33            34            35 
      1   0.886819D+00  0.371588D+01  0.187458D+01  0.448505D+00  0.797750D+01
      2   0.166103D+01  0.825203D+00  0.504330D+01 -0.413696D+01  0.632386D+01
      3  -0.252788D+01  0.773104D+01 -0.976547D-01  0.515804D+01 -0.142707D+01
                36            37            38            39            40 
      1   0.570026D+01 -0.800285D+00  0.541826D+00  0.834953D+00  0.135289D+01
      2   0.896046D+01  0.138275D+02 -0.124295D+01  0.184836D+01 -0.640861D+01
      3  -0.634788D+01  0.833327D+01 -0.533029D+01  0.289236D+01 -0.831667D+00
                41            42            43            44            45 
      1  -0.340106D+01 -0.130082D+01 -0.156939D+01  0.677731D+01  0.267339D+01
      2  -0.193775D+01 -0.350670D+01 -0.187406D+01 -0.452361D+01 -0.272578D+01
      3  -0.106066D+02  0.146177D+01  0.531943D+01  0.118330D+01  0.283201D+01
                46            47            48            49            50 
      1  -0.420393D+00 -0.412334D+01 -0.278647D+01 -0.395908D+01  0.877940D+01
      2  -0.845117D+01  0.535419D+01  0.519562D+00  0.617496D+01  0.175725D+01
      3  -0.330625D+01  0.524026D+01 -0.281595D+01  0.114168D+02 -0.222448D+01
                51            52            53            54            55 
      1  -0.929942D+01  0.235447D+00 -0.213171D+01 -0.905265D+01 -0.512324D+01
      2   0.230925D+01 -0.938251D+01  0.108096D+01 -0.223298D+01 -0.240923D+01
      3   0.159296D+01 -0.396841D+01  0.141076D+01  0.134807D+01  0.213841D+01
                56            57            58            59            60 
      1  -0.489441D+01  0.387199D+01 -0.208997D+01 -0.376307D-01 -0.751347D+01
      2   0.499547D+01  0.856736D+01  0.433947D+01 -0.362692D+01 -0.283660D+01
      3  -0.671081D+01 -0.131263D+01  0.700632D+00  0.925923D+01  0.403588D+01
                61            62            63            64            65 
      1   0.788571D+00 -0.230167D+01  0.107170D+00  0.333827D+01  0.128290D+01
      2   0.452189D+01 -0.551392D+00 -0.104234D+02 -0.239870D+01 -0.229028D+01
      3   0.816874D+00  0.800066D+01  0.938361D+00  0.525446D+01 -0.252587D+01
                66            67            68            69            70 
      1  -0.342911D+01  0.149077D+01  0.127388D+01 -0.275514D+01 -0.391606D+01
      2   0.490420D+01 -0.756852D+00 -0.111488D+01  0.208579D+01  0.247701D+01
      3  -0.177365D+01  0.188654D+01  0.748626D+00  0.538784D-01 -0.369139D+01
                71            72            73            74            75 
      1  -0.680185D+00  0.393521D+01 -0.168325D+01 -0.110215D+01 -0.217874D+01
      2   0.259301D+01 -0.487452D+01  0.142651D+01  0.101009D+01  0.314483D+01
      3   0.141485D+01  0.622220D+00 -0.100302D+01  0.100683D+01  0.884000D+00
                76            77            78            79            80 
      1  -0.854577D+00 -0.151760D+01 -0.398192D+01 -0.327266D+01 -0.437418D+01
      2   0.520209D+00  0.236457D+01  0.301694D+01  0.129497D+01  0.580723D+01
      3   0.275116D+01 -0.215219D+01 -0.195922D+01  0.250398D+01 -0.207649D+01
                81            82            83            84            85 
      1  -0.103229D+02  0.219122D+01  0.102021D+01  0.210582D+01  0.150754D+01
      2   0.100644D+02 -0.825104D-01 -0.582561D+00  0.577437D+00 -0.163226D+01
      3   0.236198D-01 -0.728454D+00 -0.312607D+01 -0.175896D+01 -0.171081D+01
                86            87            88            89            90 
      1   0.377872D+01  0.325802D+01  0.271290D+01  0.443235D+01  0.165466D+02
      2  -0.826335D+00 -0.100644D+00 -0.369738D+01 -0.553655D+00  0.727799D+00
      3  -0.576781D+00 -0.360665D+00 -0.278072D+01 -0.889129D+00 -0.194556D+01
                91            92            93            94            95 
      1  -0.109966D+01  0.442767D+00  0.493464D+00 -0.412710D+00 -0.194242D+01
      2   0.414544D-01  0.433330D+00  0.120294D+01  0.191886D+01 -0.193240D+01
      3   0.150802D+00  0.952827D+00  0.892516D+00  0.717755D+01 -0.121986D+00
                96            97            98            99           100 
      1  -0.418667D+01  0.353410D+00 -0.104560D+01  0.171064D+01  0.341439D+01
      2  -0.293596D+00 -0.176289D+00 -0.693081D+00 -0.322145D+00  0.652017D+01
      3  -0.311704D+00  0.166147D+01 -0.570428D+00 -0.631889D+00 -0.824584D+01
               101           102           103           104           105 
      1  -0.121284D+01  0.226229D+01 -0.136820D+01  0.964911D+00 -0.212910D+01
      2  -0.220212D+01  0.529273D+01 -0.127006D+01  0.151629D+01 -0.198833D+01
      3  -0.383646D+01 -0.983049D+00  0.121122D+01 -0.236389D+00 -0.485742D+00
               106           107           108           109           110 
      1   0.217363D+01 -0.504292D+00  0.118160D+01  0.191012D-01  0.597611D+00
      2   0.250829D+01 -0.233936D+01  0.180919D+01 -0.830600D+00 -0.763706D+00
      3  -0.271649D+01 -0.170904D+01  0.180821D+00  0.121797D+01  0.107666D+01
               111           112           113           114           115 
      1  -0.773674D+00  0.260704D+00 -0.462106D+00 -0.296984D+01  0.853316D+00
      2  -0.141992D+00 -0.796045D+00 -0.312059D+01 -0.343182D+01 -0.240345D+01
      3   0.878131D+00  0.285624D+01  0.205813D+01  0.274198D+01  0.186657D+01
               116           117           118           119           120 
      1   0.129186D+01 -0.841549D+01  0.959990D+01 -0.222321D+00 -0.278596D+01
      2  -0.447184D+01 -0.118750D+02 -0.292210D+01 -0.809631D+00  0.126033D+02
      3   0.424702D+01  0.345388D+01 -0.114516D+02  0.170384D+00 -0.767121D+01
               121           122           123           124           125 
      1  -0.299614D+01 -0.110768D+02 -0.757166D+01 -0.302051D+01 -0.183571D+01
      2  -0.977721D+00  0.936074D+00  0.442304D+01  0.775318D+01  0.517332D+01
      3   0.731280D+01  0.143318D+02  0.582803D+00 -0.668038D+01 -0.160035D+01
               126           127           128           129           130 
      1   0.384178D+01 -0.111543D+00 -0.206651D+01 -0.116468D+01 -0.144147D+01
      2  -0.212515D+01  0.488958D+00  0.305971D+00  0.322509D+01  0.148781D+01
      3  -0.219979D+01  0.101736D+01 -0.345638D+01 -0.137904D+01  0.623558D+00
               131           132           133           134           135 
      1  -0.738232D+00 -0.142596D+01  0.271584D+00  0.188778D+01  0.733786D+00
      2  -0.269655D+00  0.251520D+01 -0.166853D+01  0.190584D+01 -0.364875D+01
      3  -0.862510D+00  0.147362D+01 -0.286684D+01  0.257205D+01 -0.242915D+00
               136           137           138           139           140 
      1  -0.742608D+00  0.590314D+00  0.240143D+00  0.459084D+00 -0.103972D+02
      2  -0.839984D+00  0.985070D+00  0.142367D+01  0.197763D+01 -0.888392D+00
      3  -0.122276D+01 -0.816727D+00  0.781313D+00  0.511904D+01  0.187756D+01
               141           142           143           144           145 
      1  -0.259920D+01  0.651046D+00 -0.298302D+00 -0.328084D+00  0.138233D+01
      2  -0.279199D+00 -0.413427D+00 -0.225954D+00 -0.103532D+00  0.107532D+01
      3   0.238623D+00  0.759851D+00  0.745773D+00  0.923570D-01  0.781496D+00
               146           147           148           149           150 
      1   0.393422D+00  0.263931D+01 -0.365062D+00  0.153634D+01  0.416638D+01
      2  -0.571450D+00 -0.130530D+01 -0.167337D+01 -0.160851D+00 -0.576311D+00
      3  -0.185719D+01 -0.194652D+01 -0.754238D-01 -0.373627D+00 -0.115897D+01
               151           152           153           154           155 
      1   0.899751D+00  0.452682D+01  0.131220D+02 -0.472129D+01 -0.327805D+01
      2  -0.359220D+01  0.369588D+00 -0.335902D+00  0.825951D+01  0.180756D+01
      3  -0.125215D+01 -0.413521D+00 -0.269124D+01 -0.202997D+01 -0.705073D+00
               156           157           158           159           160 
      1   0.420524D+01 -0.205995D+01 -0.269462D+01  0.162623D+01  0.370752D+01
      2  -0.616074D+01  0.229656D+01  0.259745D+01 -0.179414D+01 -0.866983D+01
      3   0.262380D+01  0.630353D+00 -0.793707D+00 -0.829857D+00  0.249886D+01
               161           162           163           164           165 
      1   0.422204D+01 -0.726037D+01 -0.573323D+01  0.264171D+01 -0.288247D+01
      2  -0.160288D+01  0.961391D+01 -0.326117D+01  0.100306D+01  0.353228D+01
      3  -0.354936D+00 -0.205467D+01  0.116940D+02 -0.630153D+01  0.422356D+01
               166           167           168           169           170 
      1   0.202249D+01 -0.934865D+00  0.100752D+01 -0.258208D+01  0.211386D+01
      2   0.761368D+00 -0.164418D+00 -0.179628D+01 -0.155667D+01 -0.639350D+00
      3  -0.357515D+01  0.197702D+01 -0.146117D+01  0.378833D+01 -0.132852D+01
               171           172           173           174           175 
      1  -0.279267D+01 -0.167699D+00  0.283737D+00  0.338456D+00  0.645243D+00
      2   0.222290D+01  0.652851D+00 -0.728468D+00 -0.151623D+00 -0.942505D+00
      3   0.318565D+01 -0.576623D+00  0.166239D-01  0.819690D+00  0.265943D+01
               176           177           178           179           180 
      1   0.998846D+01 -0.432057D+01  0.514274D+00 -0.167998D+00  0.812437D+00
      2   0.126558D+01  0.230021D+01 -0.137733D+01  0.122793D+01  0.109558D+00
      3  -0.170262D+02 -0.112694D+01  0.145228D+00  0.459946D+00 -0.181347D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.207166D+02  0.138240D+02 -0.215434D+01  0.187181D+02 -0.756472D+01
      2   0.774185D+01 -0.506097D+01 -0.322276D+01 -0.132022D+02  0.728743D+00
      3   0.129747D+02 -0.876301D+01  0.537710D+01 -0.551590D+01  0.683598D+01
      4   0.239470D+02 -0.102141D+02 -0.838422D+01 -0.165351D+02 -0.106169D+01
      5   0.822194D+01 -0.595730D+01 -0.275606D+01 -0.798681D+01  0.544523D+01
      6  -0.430478D+01  0.771055D+01  0.195923D+01  0.795583D+00 -0.488040D+01
                 6             7             8             9            10 
      1  -0.811472D+01  0.125674D+02 -0.101285D+02 -0.210452D+01  0.107969D+00
      2   0.335324D+01 -0.609519D+01  0.244091D+01 -0.328802D+01 -0.325330D+01
      3   0.476148D+01 -0.647217D+01  0.768756D+01  0.539254D+01  0.314533D+01
      4   0.395140D+01 -0.126602D+02  0.991168D+01  0.100302D+02 -0.102087D+02
      5   0.685991D+01  0.220790D+01  0.553650D+01  0.122032D+02  0.105942D+02
      6  -0.780004D+01  0.339081D+01 -0.269097D+01  0.951406D+00  0.978650D+01
                11            12            13            14            15 
      1  -0.840504D+01  0.945894D+01 -0.723410D+01 -0.293952D+01  0.532408D+01
      2   0.486139D+01 -0.482326D+01  0.434689D+01  0.128105D+02 -0.333036D+01
      3   0.354365D+01 -0.463568D+01  0.288721D+01 -0.987095D+01 -0.199372D+01
      4  -0.105635D+02  0.846621D+01 -0.252895D+01  0.268593D+00 -0.306620D+01
      5   0.579173D+01 -0.109678D+02  0.396101D+01 -0.183675D+01 -0.886836D+01
      6  -0.154987D+01 -0.772552D+01  0.132922D+01 -0.213404D+01 -0.638588D+01
                16            17            18            19            20 
      1   0.889072D+01  0.905019D+01 -0.230696D+00 -0.556794D+01 -0.200399D+01
      2  -0.423469D+01 -0.521231D+01 -0.178259D+01  0.801413D+01  0.379036D+01
      3  -0.465603D+01 -0.383788D+01  0.201328D+01 -0.244619D+01 -0.178638D+01
      4   0.104311D+02 -0.584141D+01 -0.197975D+02 -0.569244D+01  0.856494D+00
      5  -0.131712D+02 -0.131688D+02 -0.769250D+01  0.200426D+01 -0.152570D+01
      6  -0.106692D+02 -0.147148D+02 -0.141671D+02 -0.799695D+01 -0.808737D-01
                21            22            23            24            25 
      1   0.232556D+01 -0.160374D+01  0.284758D+02  0.329837D+00  0.322893D+01
      2   0.217313D-01  0.502493D+01 -0.527439D+02  0.531493D+01  0.684789D+00
      3  -0.234729D+01 -0.342118D+01  0.242681D+02 -0.564476D+01 -0.391372D+01
      4  -0.466670D+01  0.563601D+01  0.110417D+02 -0.134325D+01 -0.517037D+01
      5  -0.134746D+01 -0.217412D+00 -0.955366D+00 -0.962139D+00  0.658604D+00
      6   0.536326D+01 -0.186630D+01  0.856293D+01  0.788657D+01  0.459302D+01
                26            27            28            29            30 
      1   0.849645D+00  0.472302D+01 -0.246071D+02  0.149823D+02 -0.101685D+02
      2  -0.728815D+00  0.130094D+02  0.538507D+01 -0.815610D+01  0.666510D+01
      3  -0.120829D+00 -0.177324D+02  0.192220D+02 -0.682619D+01  0.350342D+01
      4   0.117782D+01  0.283071D+01  0.223246D+02 -0.760641D+01  0.615250D+01
      5  -0.724900D+00 -0.507125D+01 -0.984690D+01  0.466686D+00  0.375462D+01
      6   0.780557D+01  0.181044D+02  0.359005D+01  0.692934D+00 -0.289905D+01
                31            32            33            34            35 
      1   0.104234D+02 -0.281033D+01  0.594230D+01 -0.126888D+02  0.668725D+01
      2  -0.542895D+01  0.913343D+01  0.119278D+01  0.646814D+01  0.403440D+01
      3  -0.499448D+01 -0.632309D+01 -0.713508D+01  0.622071D+01 -0.107216D+02
      4  -0.922812D+01 -0.746716D+01  0.100978D+01  0.102380D+02  0.343524D+01
      5   0.149021D-01 -0.236348D+01  0.693433D+01  0.128197D+01  0.987024D+01
      6  -0.738493D+00 -0.266836D+01 -0.101315D+02  0.576359D+00 -0.103862D+02
                36            37            38            39            40 
      1   0.118858D+02  0.155154D+01 -0.916876D+01  0.147226D+02 -0.649324D+01
      2  -0.145380D+00  0.166629D+01  0.575611D+01 -0.103106D+02  0.440372D+01
      3  -0.117404D+02 -0.321783D+01  0.341265D+01 -0.441196D+01  0.208952D+01
      4   0.107627D+02 -0.749272D+01 -0.607997D+01  0.683478D+01 -0.763655D+01
      5   0.135716D+02  0.187802D+02  0.611729D+01 -0.150110D+02  0.279618D+01
      6  -0.212857D+02  0.997111D+01  0.449101D+00 -0.627714D+01  0.294997D+01
                41            42            43            44            45 
      1  -0.534009D+01 -0.943240D+00  0.118779D+02  0.230006D+01 -0.108310D+02
      2   0.749319D+01 -0.852588D+00 -0.940347D+01 -0.618873D+01  0.340555D+01
      3  -0.215310D+01  0.179583D+01 -0.247446D+01  0.388867D+01  0.742545D+01
      4   0.658650D+01  0.157128D+01  0.461829D+01 -0.259602D+01 -0.171813D+02
      5   0.414788D+01 -0.109064D+02 -0.167085D+02 -0.141144D+02  0.423943D+01
      6  -0.339637D-02 -0.716910D+01 -0.949913D+01 -0.631176D+01  0.203539D+01
                46            47            48            49            50 
      1  -0.425353D+00 -0.514928D+01  0.299471D+01 -0.162567D+01  0.145513D+02
      2  -0.767270D+00  0.676651D+01  0.381564D+01  0.349999D+01 -0.265794D+02
      3   0.119262D+01 -0.161723D+01 -0.681034D+01 -0.187432D+01  0.120281D+02
      4  -0.641551D+01  0.681601D+00 -0.938344D+00  0.340419D+01  0.836109D+01
      5  -0.362638D+01 -0.100687D+01  0.261630D+01 -0.115738D+01 -0.253898D+01
      6  -0.657206D+01 -0.442970D+01  0.290438D+01 -0.246400D+01  0.101141D+02
                51            52            53            54            55 
      1   0.626118D+01 -0.246335D+01  0.554716D+01  0.161210D+02  0.592874D+02
      2   0.774266D+01  0.228487D+01  0.187960D+01  0.142055D+02 -0.272601D+02
      3  -0.140038D+02  0.178484D+00 -0.742677D+01 -0.303265D+02 -0.320274D+02
      4  -0.295377D+00 -0.249808D+00 -0.233881D+00 -0.233045D+00 -0.357148D+02
      5   0.782871D+00  0.325964D+01 -0.760742D+00 -0.700421D+01 -0.133563D+02
      6   0.523083D+01  0.746575D+00  0.548317D+01  0.306819D+01  0.561215D+01
                56            57            58            59            60 
      1  -0.176836D+02 -0.819862D+01 -0.178473D+02  0.899129D+01  0.195179D+01
      2   0.507229D+01  0.678345D+01  0.463764D+01  0.482872D+01  0.269760D+00
      3   0.126113D+02  0.141517D+01  0.132097D+02 -0.138200D+02 -0.222155D+01
      4   0.251449D+02  0.781568D+01  0.308861D+02 -0.243351D+02 -0.827412D+01
      5   0.584427D+01  0.151762D+02  0.734579D+01 -0.708361D+01 -0.895795D+01
      6  -0.375542D+01 -0.589673D+01 -0.419150D+01  0.846934D+01  0.110050D+02
                61            62            63            64            65 
      1  -0.115330D+02  0.395923D+01  0.527827D+01  0.211884D+02  0.583255D+01
      2   0.902391D+01 -0.784371D+00 -0.829829D+01 -0.872811D+01  0.448687D+00
      3   0.250912D+01 -0.317486D+01  0.302003D+01 -0.124603D+02 -0.628123D+01
      4   0.122795D+02 -0.872630D+01 -0.131774D+02  0.237436D+02  0.158906D+02
      5   0.200828D+02 -0.117367D+02 -0.183444D+02 -0.138757D+02 -0.569563D+01
      6  -0.832277D+01  0.121256D+02  0.747630D+01 -0.783241D+01 -0.413772D+01
                66            67            68            69            70 
      1  -0.721780D+01  0.155804D+01  0.128056D+00  0.674272D+00 -0.831537D+01
      2   0.414697D+01  0.378773D+01  0.459347D+01 -0.268269D+01  0.518118D+01
      3   0.307082D+01 -0.534577D+01 -0.472152D+01  0.200842D+01  0.313419D+01
      4  -0.967731D+01  0.129258D+02  0.109138D+02 -0.554562D+01 -0.136831D+02
      5   0.110390D+02 -0.319968D+01 -0.475929D+01  0.395205D+01  0.134177D+02
      6   0.640563D+01 -0.400031D+01 -0.523474D+01  0.642567D+01  0.841611D+01
                71            72            73            74            75 
      1  -0.102702D+01  0.182515D+01  0.125403D+01  0.333348D+01  0.200141D+01
      2  -0.160995D+01 -0.364959D+01  0.518250D-01 -0.112215D+01 -0.199271D+01
      3   0.263697D+01  0.182445D+01 -0.130585D+01 -0.221134D+01 -0.870749D-02
      4  -0.923803D+01  0.115062D+02  0.762569D+01  0.786204D+01  0.559104D+01
      5   0.786734D+01 -0.122430D+02  0.557276D+01  0.304925D+01  0.786678D+01
      6   0.817170D+01 -0.830089D+01  0.450035D+01  0.291961D+01  0.402352D+01
                76            77            78            79            80 
      1   0.145056D+01 -0.623601D+01 -0.453749D+01  0.275266D+01 -0.686797D+01
      2   0.816614D+00  0.802886D+01  0.510291D+01 -0.240058D+01  0.632136D+01
      3  -0.226718D+01 -0.179285D+01 -0.565421D+00 -0.352085D+00  0.546613D+00
      4   0.712503D+01  0.934179D+01  0.769314D+01  0.812055D+01  0.131911D+02
      5   0.218436D+01  0.629045D+01  0.595570D+01  0.102621D+02  0.102469D+02
      6   0.362418D+01  0.103298D+02  0.116629D+02  0.789549D+01  0.155631D+02
                81            82            83            84            85 
      1  -0.702789D+01  0.151829D+01  0.527444D+00 -0.143786D+00  0.130360D+00
      2  -0.172883D+01 -0.502875D+01 -0.125466D+01 -0.121704D+01 -0.175924D+01
      3   0.875673D+01  0.351046D+01  0.727217D+00  0.136083D+01  0.162888D+01
      4   0.144918D+02 -0.670043D+00  0.190229D+01 -0.194234D+01 -0.327694D+00
      5   0.189207D+02  0.253437D+01  0.637508D+00  0.770948D+01  0.812129D+00
      6   0.225503D+02 -0.168815D+01  0.112276D+01 -0.274309D+01  0.594706D+00
                86            87            88            89            90 
      1  -0.335280D+01  0.259932D+00 -0.140840D+01  0.289533D+01 -0.167190D+02
      2   0.302884D+01 -0.514739D+01 -0.264743D+01 -0.418422D+01 -0.148924D+02
      3   0.323960D+00  0.488746D+01  0.405583D+01  0.128889D+01  0.316114D+02
      4  -0.565501D+00  0.116642D+01 -0.350336D+01  0.179221D+01 -0.183910D+01
      5   0.129662D+01  0.104917D+01  0.550153D+01  0.694768D-01  0.776923D+01
      6  -0.229191D+01  0.277502D+00 -0.318158D+01  0.576701D+01 -0.232881D+02
                91            92            93            94            95 
      1  -0.221808D+01  0.124984D+01 -0.398217D+00  0.259593D+01 -0.439706D+02
      2   0.696787D+01 -0.382163D+01  0.118880D+00 -0.517488D+01  0.785343D+02
      3  -0.474979D+01  0.257179D+01  0.279337D+00  0.257895D+01 -0.345638D+02
      4  -0.199066D+01  0.114865D+02 -0.528139D+00  0.929715D+01 -0.118086D+02
      5   0.584234D-01 -0.174713D+01  0.192088D+01 -0.139628D+01  0.224452D+01
      6  -0.185445D+00  0.578742D+00 -0.910390D+00  0.106246D+01 -0.139960D+02
                96            97            98            99           100 
      1   0.468037D+01 -0.239165D+00  0.428527D+00 -0.558624D+01  0.467288D+02
      2  -0.631843D+01 -0.464529D+00  0.104664D+01  0.532046D+01 -0.191888D+02
      3   0.163806D+01  0.703693D+00 -0.147517D+01  0.265774D+00 -0.275401D+02
      4   0.104811D+01  0.744818D+00 -0.142582D+00 -0.139334D+01 -0.324990D+02
      5  -0.775002D+00  0.115120D+01 -0.771227D+00  0.636296D+00  0.330605D+01
      6   0.870702D+01 -0.142426D+01  0.996953D+01 -0.307031D+01 -0.897134D+00
               101           102           103           104           105 
      1  -0.109514D+02  0.558026D+01 -0.669739D+01  0.545216D+01 -0.963138D+00
      2   0.943952D+00 -0.221356D+01 -0.172825D+01  0.173050D+01 -0.103654D+01
      3   0.100075D+02 -0.336670D+01  0.842564D+01 -0.718266D+01  0.199968D+01
      4   0.176787D+02 -0.383454D+01  0.169428D+02 -0.107911D+02  0.231693D+01
      5  -0.572506D+00  0.701147D+01 -0.615958D+00  0.160297D+01 -0.240655D+01
      6  -0.143876D+00 -0.275731D+01  0.304324D+00 -0.937720D+00  0.348329D+01
               106           107           108           109           110 
      1   0.934205D+01 -0.262471D+01  0.345668D+01  0.147476D+01 -0.399659D+01
      2  -0.386804D+01 -0.129988D+01 -0.251222D+01 -0.147533D+01  0.250488D+01
      3  -0.547401D+01  0.392459D+01 -0.944464D+00  0.570741D-03  0.149171D+01
      4  -0.862046D+01  0.467153D+01 -0.575332D+01 -0.357961D+01  0.304643D+01
      5   0.853469D+01 -0.396134D+01  0.319596D+01 -0.184292D+01  0.175466D+01
      6  -0.356465D+01  0.376444D+01 -0.494827D+00  0.298729D+01  0.572096D+00
               111           112           113           114           115 
      1  -0.254576D+01 -0.195532D+01 -0.749263D+01 -0.669157D+01 -0.137394D+01
      2   0.138245D+01  0.103100D+01  0.558964D+01  0.375587D+01  0.198739D+01
      3   0.116331D+01  0.924326D+00  0.190299D+01  0.293570D+01 -0.613447D+00
      4   0.242279D+01  0.455092D+01 -0.456940D+01 -0.604677D+01  0.403753D+01
      5   0.442727D+01  0.232397D+01 -0.503293D+01 -0.565380D+01  0.717996D+01
      6   0.180114D+01 -0.150351D+01  0.112294D+02  0.145244D+02 -0.332785D+01
               116           117           118           119           120 
      1  -0.829703D+01 -0.162462D+02 -0.242519D+02  0.854091D+01 -0.239433D+02
      2   0.223579D+01 -0.840130D+01  0.246022D+02 -0.458059D+01  0.725156D+01
      3   0.606124D+01  0.246475D+02 -0.350326D+00 -0.396032D+01  0.166918D+02
      4  -0.829904D+01 -0.105806D+02  0.733296D+00  0.532549D+01 -0.545266D+01
      5  -0.879481D+01 -0.207726D+02 -0.221724D+02  0.452555D+01 -0.428007D+01
      6   0.150353D+02  0.269149D+02 -0.301395D+01  0.235160D-01  0.571280D+01
               121           122           123           124           125 
      1   0.147035D+02  0.150354D+02  0.108395D+01 -0.215633D+02 -0.229610D+01
      2  -0.110669D+02 -0.350914D+02 -0.637620D+01  0.791451D+01 -0.117486D+01
      3  -0.363656D+01  0.200561D+02  0.529225D+01  0.136488D+02  0.347096D+01
      4   0.401994D+01 -0.233024D+02  0.169513D+01 -0.480486D+01  0.496559D+01
      5   0.805767D+01  0.140530D+01  0.773004D+01 -0.182918D+01  0.929698D+01
      6   0.279802D+00 -0.822562D+01  0.754234D+01  0.740758D+01  0.728090D+01
               126           127           128           129           130 
      1   0.360478D+01  0.209513D+02  0.612489D+01 -0.108132D+02  0.458036D+01
      2   0.460482D+01 -0.149040D+02 -0.368032D+01  0.992912D+01 -0.128122D+01
      3  -0.820960D+01 -0.604730D+01 -0.244457D+01  0.884071D+00 -0.329913D+01
      4   0.144582D+02  0.151050D+02  0.104773D+02 -0.814995D+01  0.115295D+02
      5   0.560944D+01 -0.223886D+02 -0.687172D+01  0.190426D+02 -0.638508D+01
      6   0.486401D+01 -0.804950D+01 -0.431569D+01  0.733117D+01 -0.533719D+01
               131           132           133           134           135 
      1   0.202018D+01 -0.927813D+00 -0.847394D+01 -0.121581D+01  0.442375D+01
      2   0.284418D+00  0.351433D+00  0.104522D+02  0.278780D+01 -0.124299D+02
      3  -0.230459D+01  0.576380D+00 -0.197825D+01 -0.157198D+01  0.800618D+01
      4   0.807855D+01 -0.684885D+01 -0.870655D+01 -0.629333D+01  0.987886D+01
      5  -0.759258D+01  0.741502D+01  0.204418D+02  0.875560D+01 -0.225292D+02
      6  -0.616118D+01  0.853899D+01  0.770410D+01  0.741019D+01 -0.106669D+02
               136           137           138           139           140 
      1  -0.146370D+00  0.157891D+01 -0.963671D+00  0.126111D+01 -0.262177D+02
      2   0.420607D+01 -0.361264D+01  0.392090D+00 -0.269959D+01  0.426328D+02
      3  -0.405970D+01  0.203373D+01  0.571581D+00  0.143848D+01 -0.164152D+02
      4  -0.228168D+01  0.959319D+01 -0.123471D+01  0.707446D+01 -0.710616D+01
      5   0.640006D+00 -0.313995D+01  0.208039D+01 -0.250893D+01  0.288873D+01
      6  -0.175777D+01  0.218103D+01 -0.119401D+01  0.256820D+01 -0.189727D+02
               141           142           143           144           145 
      1   0.524259D+01 -0.582775D+00  0.618169D+00 -0.498818D+01 -0.308372D+00
      2  -0.473310D+01 -0.377364D+00  0.174204D+01  0.214875D+01 -0.483783D+01
      3  -0.509487D+00  0.960139D+00 -0.236021D+01  0.283943D+01  0.514620D+01
      4   0.154814D+01  0.106465D+00 -0.932166D+00 -0.797196D+00  0.986927D+00
      5  -0.121242D+01  0.936138D+00 -0.449359D+00  0.698724D+00  0.301901D+01
      6   0.952078D+01 -0.903198D+00  0.706101D+01 -0.298264D+01 -0.377150D+00
               146           147           148           149           150 
      1   0.820115D+00 -0.177186D+01  0.142010D+01 -0.424280D+01 -0.437494D+01
      2  -0.361912D+00 -0.286991D+01 -0.927785D+00  0.915595D-01 -0.595025D+01
      3  -0.458203D+00  0.464177D+01 -0.492318D+00  0.415124D+01  0.103252D+02
      4   0.124313D+01 -0.177989D+01 -0.385788D+00  0.676518D-02  0.676464D+00
      5   0.560719D+00  0.900313D+01  0.171582D+01  0.107511D+01  0.194263D+01
      6   0.124049D+01 -0.188656D+01  0.840910D+00  0.249254D-01  0.380009D+01
               151           152           153           154           155 
      1   0.870646D-02  0.228925D+00 -0.271498D+02 -0.387339D+01 -0.763661D+00
      2  -0.280869D+01 -0.292604D+01 -0.223955D+02 -0.379238D+01 -0.123022D+01
      3   0.279998D+01  0.269711D+01  0.495453D+02  0.766577D+01  0.199388D+01
      4  -0.241231D+01  0.773578D+00 -0.157495D+01 -0.602082D+01 -0.251310D+01
      5   0.656165D+01  0.266120D+00  0.906185D+01 -0.205469D+01 -0.169747D+01
      6  -0.123004D+01  0.572371D+01 -0.123681D+02  0.190703D+01 -0.320110D+01
               156           157           158           159           160 
      1   0.111297D+02 -0.302647D+01 -0.482886D+01  0.902440D+00  0.992954D+01
      2   0.182031D+01  0.117500D+01  0.411482D+01  0.305979D+01  0.978156D+00
      3  -0.129500D+02  0.185148D+01  0.714034D+00 -0.396223D+01 -0.109077D+02
      4   0.375908D+01 -0.143825D+01  0.227469D+00  0.106759D+01  0.559300D+01
      5   0.858274D+00 -0.200809D+01 -0.430364D+00 -0.214067D+01  0.441955D+01
      6  -0.582973D+01 -0.160699D+01  0.387973D+00  0.126993D+01 -0.232708D+01
               161           162           163           164           165 
      1   0.538698D+00 -0.152362D+02  0.488756D+02 -0.424243D+01  0.143207D+02
      2   0.240438D+01 -0.898302D+01 -0.323577D+02  0.483240D+01 -0.130158D+02
      3  -0.294308D+01  0.242193D+02 -0.165179D+02 -0.589966D+00 -0.130493D+01
      4   0.225179D+01 -0.483242D+01  0.118885D+02  0.774819D+01  0.502578D+01
      5   0.149245D-01  0.378420D+01  0.293850D+02 -0.114443D+01  0.184744D+02
      6   0.358649D+01  0.805230D+01  0.287273D+01  0.398069D+01  0.307064D+01
               166           167           168           169           170 
      1  -0.108968D+02  0.396335D+01 -0.298854D+01  0.107452D+02 -0.149135D+00
      2   0.861351D+01 -0.272315D+00  0.417519D+01 -0.106967D+02  0.129562D+01
      3   0.228331D+01 -0.369104D+01 -0.118665D+01 -0.485226D-01 -0.114649D+01
      4   0.470619D+01  0.124306D+00  0.156219D+01  0.390373D+01  0.143885D+01
      5  -0.668167D+01  0.338846D+01 -0.536596D+01  0.165273D+02 -0.179827D+01
      6   0.231945D+01 -0.440335D+00  0.618906D+00  0.200800D+01  0.166241D+01
               171           172           173           174           175 
      1   0.653752D+01  0.235006D+01  0.360316D+01  0.268385D+01  0.151226D+01
      2  -0.104112D+02  0.137160D+01 -0.112176D+01 -0.111097D+01  0.398478D+01
      3   0.387366D+01 -0.372166D+01 -0.248140D+01 -0.157287D+01 -0.549703D+01
      4   0.104492D+01  0.475114D+01  0.804312D+01  0.953738D+00  0.123624D+02
      5   0.121433D+02  0.272172D+01  0.104384D+01  0.176840D+01  0.294544D+01
      6   0.196510D+01  0.144810D+01  0.142726D+00 -0.452243D+00  0.271345D+01
               176           177           178           179           180 
      1  -0.236234D+02 -0.339981D+01  0.849698D+00 -0.785455D+00 -0.399409D+01
      2   0.510670D+02  0.268604D+01 -0.427745D+00 -0.236789D+01  0.396590D+01
      3  -0.274436D+02  0.713768D+00 -0.421953D+00  0.315334D+01  0.281928D-01
      4   0.345962D+02  0.378757D+01 -0.261937D+00 -0.130664D+01  0.215661D+01
      5   0.280809D+01  0.462755D+01  0.166441D+01  0.289601D+01 -0.502754D+00
      6   0.172606D+02  0.937904D+01  0.251308D+00  0.769640D+01  0.107511D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 20:23:25 2021, MaxMem= 10737418240 cpu:           22890.6 elap:            1432.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.46306 -10.52605 -10.45170 -10.44505 -10.44229
 Alpha  occ. eigenvalues --  -10.44036 -10.44030 -10.42990  -1.18282  -0.98915
 Alpha  occ. eigenvalues --   -0.91410  -0.87079  -0.82833  -0.75372  -0.70627
 Alpha  occ. eigenvalues --   -0.65103  -0.60310  -0.58183  -0.57676  -0.56972
 Alpha  occ. eigenvalues --   -0.54201  -0.53335  -0.51356  -0.49917  -0.47785
 Alpha  occ. eigenvalues --   -0.47223  -0.45632  -0.43046  -0.42814  -0.42364
 Alpha  occ. eigenvalues --   -0.34961
 Alpha virt. eigenvalues --   -0.01569  -0.00450  -0.00338   0.00330   0.01638
 Alpha virt. eigenvalues --    0.01819   0.01978   0.02318   0.02946   0.04531
 Alpha virt. eigenvalues --    0.04888   0.05071   0.06073   0.06728   0.07707
 Alpha virt. eigenvalues --    0.08289   0.08436   0.10115   0.10707   0.11077
 Alpha virt. eigenvalues --    0.11471   0.11565   0.11712   0.12074   0.12321
 Alpha virt. eigenvalues --    0.12884   0.13166   0.13303   0.13788   0.14448
 Alpha virt. eigenvalues --    0.14820   0.15281   0.15987   0.16862   0.17339
 Alpha virt. eigenvalues --    0.18060   0.19471   0.20607   0.21258   0.22568
 Alpha virt. eigenvalues --    0.22730   0.24743   0.25802   0.26287   0.27275
 Alpha virt. eigenvalues --    0.28132   0.29336   0.29534   0.29906   0.30378
 Alpha virt. eigenvalues --    0.30612   0.31494   0.32657   0.33044   0.33532
 Alpha virt. eigenvalues --    0.34167   0.35271   0.35687   0.36029   0.37011
 Alpha virt. eigenvalues --    0.38075   0.38257   0.39083   0.39505   0.40225
 Alpha virt. eigenvalues --    0.41018   0.41282   0.41898   0.42495   0.43014
 Alpha virt. eigenvalues --    0.43852   0.44254   0.45493   0.46373   0.47407
 Alpha virt. eigenvalues --    0.47556   0.48084   0.48808   0.49566   0.49843
 Alpha virt. eigenvalues --    0.50624   0.51616   0.52346   0.52623   0.53580
 Alpha virt. eigenvalues --    0.54138   0.55862   0.56202   0.56456   0.57134
 Alpha virt. eigenvalues --    0.58025   0.60042   0.60633   0.60760   0.61763
 Alpha virt. eigenvalues --    0.62432   0.63397   0.63847   0.64744   0.65212
 Alpha virt. eigenvalues --    0.65840   0.67272   0.67606   0.68017   0.68873
 Alpha virt. eigenvalues --    0.69978   0.70380   0.71313   0.72251   0.72946
 Alpha virt. eigenvalues --    0.73541   0.74711   0.75360   0.75890   0.76135
 Alpha virt. eigenvalues --    0.77713   0.77987   0.78341   0.78697   0.80114
 Alpha virt. eigenvalues --    0.80869   0.81650   0.81939   0.82445   0.83785
 Alpha virt. eigenvalues --    0.84247   0.86377   0.86850   0.87633   0.88523
 Alpha virt. eigenvalues --    0.89784   0.91018   0.93781   0.94370   0.95362
 Alpha virt. eigenvalues --    0.96071   0.99197   0.99457   1.01174   1.01554
 Alpha virt. eigenvalues --    1.04889   1.06377   1.07485   1.08986   1.11929
 Alpha virt. eigenvalues --    1.14459   1.15523   1.17745   1.20095   1.20176
 Alpha virt. eigenvalues --    1.21015   1.22851   1.23626   1.25504   1.26464
 Alpha virt. eigenvalues --    1.28271   1.30583   1.31762   1.35173   1.36614
 Alpha virt. eigenvalues --    1.37501   1.39401   1.40447   1.42470   1.46264
 Alpha virt. eigenvalues --    1.47697   1.48392   1.50362   1.52603   1.54668
 Alpha virt. eigenvalues --    1.56635   1.58881   1.61122   1.64698   1.66723
 Alpha virt. eigenvalues --    1.67631   1.68817   1.71702   1.73122   1.74622
 Alpha virt. eigenvalues --    1.75288   1.76465   1.77616   1.78728   1.81986
 Alpha virt. eigenvalues --    1.84009   1.84501   1.85568   1.86147   1.88986
 Alpha virt. eigenvalues --    1.90327   1.91489   1.92243   1.95120   1.95544
 Alpha virt. eigenvalues --    1.96949   1.97434   1.98173   2.00054   2.00992
 Alpha virt. eigenvalues --    2.02467   2.03713   2.05424   2.06860   2.08668
 Alpha virt. eigenvalues --    2.10238   2.11308   2.12909   2.13329   2.14304
 Alpha virt. eigenvalues --    2.15982   2.19136   2.20278   2.22783   2.25025
 Alpha virt. eigenvalues --    2.26345   2.28293   2.29053   2.30921   2.31549
 Alpha virt. eigenvalues --    2.34853   2.36561   2.38021   2.39323   2.40958
 Alpha virt. eigenvalues --    2.43716   2.45387   2.48550   2.51434   2.52509
 Alpha virt. eigenvalues --    2.55045   2.55874   2.59942   2.60104   2.62497
 Alpha virt. eigenvalues --    2.63936   2.65578   2.66828   2.68212   2.71952
 Alpha virt. eigenvalues --    2.73536   2.75025   2.80850   2.82623   2.87907
 Alpha virt. eigenvalues --    2.90553   2.92156   2.95787   2.96266   3.00309
 Alpha virt. eigenvalues --    3.05541   3.09572   3.21605   3.34472   3.54049
 Alpha virt. eigenvalues --    3.54943   3.57366   3.65299   3.70150   3.80574
 Alpha virt. eigenvalues --    3.87002
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.049240  -0.525134  -0.145566   0.113061  -0.235906  -0.446191
     2  C   -0.525134   6.451468   0.312110  -0.448799  -0.203924  -0.411624
     3  C   -0.145566   0.312110   5.605698   0.455800  -0.702097  -0.105456
     4  C    0.113061  -0.448799   0.455800   5.936338  -0.324405  -0.267598
     5  C   -0.235906  -0.203924  -0.702097  -0.324405   9.891312  -0.503032
     6  C   -0.446191  -0.411624  -0.105456  -0.267598  -0.503032   6.885614
     7  O    0.577232  -0.037628   0.012789  -0.039075   0.033555  -0.062740
     8  H    0.307202  -0.549325   0.147949   0.104864  -0.013878   0.100011
     9  H   -0.241533   0.133342   0.081513  -0.031352  -0.051203  -0.012247
    10  H   -0.094446  -0.086422  -0.152561  -0.126376   0.048364   0.017392
    11  H    0.077596   0.211809  -0.315117   0.133412  -0.002175   0.051078
    12  H    0.009065   0.076958   0.133244  -0.192501  -0.196587   0.002131
    13  H   -0.076030  -0.035802  -0.081766  -0.303554   0.430204   0.061363
    14  C    0.018374   0.136465  -0.051092  -0.193052  -0.451249  -0.210279
    15  H    0.017577   0.046929   0.102328   0.253006  -1.724359   0.342398
    16  H    0.291644   0.073638   0.046292   0.047580  -0.327393  -0.490474
    17  H   -0.326345   0.045532  -0.039885  -0.015306   0.525381   0.008030
    18  H   -0.112883  -0.005597  -0.045640  -0.014299  -0.059698  -0.041138
    19  H    0.007447  -0.014914   0.081631  -0.122013   0.171349   0.051944
    20  H    0.094211   0.030082  -0.041315   0.027972   0.163378  -0.096952
               7          8          9         10         11         12
     1  C    0.577232   0.307202  -0.241533  -0.094446   0.077596   0.009065
     2  C   -0.037628  -0.549325   0.133342  -0.086422   0.211809   0.076958
     3  C    0.012789   0.147949   0.081513  -0.152561  -0.315117   0.133244
     4  C   -0.039075   0.104864  -0.031352  -0.126376   0.133412  -0.192501
     5  C    0.033555  -0.013878  -0.051203   0.048364  -0.002175  -0.196587
     6  C   -0.062740   0.100011  -0.012247   0.017392   0.051078   0.002131
     7  O    7.804103  -0.068960   0.032972   0.009652  -0.004430   0.000898
     8  H   -0.068960   1.835029  -0.445302  -0.201926   0.035780   0.008061
     9  H    0.032972  -0.445302   1.773670   0.190746  -0.183013   0.018409
    10  H    0.009652  -0.201926   0.190746   2.438482  -0.596576  -0.157280
    11  H   -0.004430   0.035780  -0.183013  -0.596576   1.883185  -0.017540
    12  H    0.000898   0.008061   0.018409  -0.157280  -0.017540   2.223331
    13  H   -0.000561   0.003091  -0.006089   0.140615  -0.104827  -0.710833
    14  C    0.000375   0.004637  -0.003631  -0.028314   0.021765   0.109662
    15  H    0.002348  -0.008777   0.014644   0.005011   0.015165   0.027178
    16  H   -0.066047   0.010390   0.020662   0.013900  -0.003113  -0.005068
    17  H    0.033753   0.016024  -0.069267  -0.028120   0.012346   0.019332
    18  H    0.019807  -0.000494   0.000356  -0.013312   0.009263  -0.017756
    19  H   -0.001999   0.003237  -0.005606  -0.023340   0.012475  -0.032440
    20  H   -0.007824  -0.000077   0.002574   0.004814  -0.003820   0.031587
              13         14         15         16         17         18
     1  C   -0.076030   0.018374   0.017577   0.291644  -0.326345  -0.112883
     2  C   -0.035802   0.136465   0.046929   0.073638   0.045532  -0.005597
     3  C   -0.081766  -0.051092   0.102328   0.046292  -0.039885  -0.045640
     4  C   -0.303554  -0.193052   0.253006   0.047580  -0.015306  -0.014299
     5  C    0.430204  -0.451249  -1.724359  -0.327393   0.525381  -0.059698
     6  C    0.061363  -0.210279   0.342398  -0.490474   0.008030  -0.041138
     7  O   -0.000561   0.000375   0.002348  -0.066047   0.033753   0.019807
     8  H    0.003091   0.004637  -0.008777   0.010390   0.016024  -0.000494
     9  H   -0.006089  -0.003631   0.014644   0.020662  -0.069267   0.000356
    10  H    0.140615  -0.028314   0.005011   0.013900  -0.028120  -0.013312
    11  H   -0.104827   0.021765   0.015165  -0.003113   0.012346   0.009263
    12  H   -0.710833   0.109662   0.027178  -0.005068   0.019332  -0.017756
    13  H    2.242395  -0.063094  -0.117034   0.019152  -0.041937  -0.007046
    14  C   -0.063094   5.032691   0.174892   0.104835  -0.051437   0.449889
    15  H   -0.117034   0.174892   2.406623   0.054387  -0.135022   0.091547
    16  H    0.019152   0.104835   0.054387   2.254183  -0.640344  -0.046916
    17  H   -0.041937  -0.051437  -0.135022  -0.640344   1.915804   0.005179
    18  H   -0.007046   0.449889   0.091547  -0.046916   0.005179   1.942206
    19  H    0.028702   0.030498  -0.059851   0.032805  -0.009925  -0.421096
    20  H   -0.014127   0.061683  -0.072419  -0.023502   0.027599  -0.420674
              19         20
     1  C    0.007447   0.094211
     2  C   -0.014914   0.030082
     3  C    0.081631  -0.041315
     4  C   -0.122013   0.027972
     5  C    0.171349   0.163378
     6  C    0.051944  -0.096952
     7  O   -0.001999  -0.007824
     8  H    0.003237  -0.000077
     9  H   -0.005606   0.002574
    10  H   -0.023340   0.004814
    11  H    0.012475  -0.003820
    12  H   -0.032440   0.031587
    13  H    0.028702  -0.014127
    14  C    0.030498   0.061683
    15  H   -0.059851  -0.072419
    16  H    0.032805  -0.023502
    17  H   -0.009925   0.027599
    18  H   -0.421096  -0.420674
    19  H    1.874048  -0.445861
    20  H   -0.445861   1.843834
 Mulliken charges:
               1
     1  C   -0.358616
     2  C    0.800834
     3  C    0.701140
     4  C    1.006297
     5  C   -0.467635
     6  C    1.127769
     7  O   -0.238221
     8  H   -0.287539
     9  H   -0.219644
    10  H   -0.360303
    11  H   -0.233266
    12  H   -0.329852
    13  H   -0.362822
    14  C    0.906384
    15  H   -0.436572
    16  H   -0.366610
    17  H   -0.251392
    18  H   -0.311700
    19  H   -0.157090
    20  H   -0.161163
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.358616
     2  C    0.293652
     3  C    0.107572
     4  C    0.313623
     5  C   -0.904207
     6  C    0.509767
     7  O   -0.238221
    14  C    0.276431
 Electronic spatial extent (au):  <R**2>=            944.7852
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.7555    Y=              1.7425    Z=              1.2889  Tot=              3.5057
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -56.9686   YY=            -50.1443   ZZ=            -49.3330
   XY=              4.7738   XZ=              2.4758   YZ=             -1.3316
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -4.8200   YY=              2.0043   ZZ=              2.8157
   XY=              4.7738   XZ=              2.4758   YZ=             -1.3316
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -14.4389  YYY=             -0.4740  ZZZ=              1.2472  XYY=             -1.8300
  XXY=              9.9582  XXZ=              4.6674  XZZ=              2.3799  YZZ=              0.2522
  YYZ=              1.3920  XYZ=             -1.9946
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -642.9309 YYYY=           -449.1320 ZZZZ=           -203.2862 XXXY=             17.0838
 XXXZ=             10.7162 YYYX=              2.6462 YYYZ=             -1.4661 ZZZX=             -2.8894
 ZZZY=              0.5862 XXYY=           -187.0989 XXZZ=           -136.6862 YYZZ=           -112.6945
 XXYZ=             -6.8387 YYXZ=              0.6817 ZZXY=              0.2074
 N-N= 3.941249269825D+02 E-N=-1.599123232251D+03  KE= 3.466354650918D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 20:23:25 2021, MaxMem= 10737418240 cpu:               5.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.02318643D+00 6.47982688D-01 4.83613985D-01
 Polarizability= 8.63494021D+01-1.04942373D+00 8.45156964D+01
                -1.93893247D+00 2.93358883D-01 7.33527226D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.1585    1.1630       -0.7294   -0.7302
 2     -1.1585   -1.1630       -0.2176   -0.2164       -1.1796   -1.1886
 3      0.7294    0.7302        6.9986    6.9966        0.2179    0.2164
 4      0.2176    0.2164       -0.0000    0.0000        0.7323    0.7302
 5     -5.8190   -5.8080       -0.7323   -0.7302        1.1610    1.1630
 6     -0.2179   -0.2164       -1.1610   -1.1630       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -3.4891   -3.4891       -2.1906   -2.1906
 2      0.6492    0.6492       -0.0000    0.0000       -2.1906   -2.1906
 3      0.6492    0.6492       -3.4891   -3.4891       -0.0000    0.0000
 4     -3.4891   -3.4891       -0.6492   -0.6492       -3.5657   -3.5657
 5      2.1906    2.1906       20.9897   20.9897        0.6492    0.6492
 6    -17.4240  -17.4240       -2.1906   -2.1906        3.4891    3.4891
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1081    0.0000       -4.7744   -4.6521        2.6899    2.9208
 2      4.3027    4.6521        0.8997    0.8656        4.7279    4.7543
 3     -2.9424   -2.9208      -27.6972  -27.9863       -1.2833   -0.8656
 4     -0.8735   -0.8656        0.0633    0.0000       -3.2360   -2.9208
 5     23.2768   23.2320        3.0579    2.9208       -4.5161   -4.6521
 6      0.9879    0.8656        4.7630    4.6521       -0.0463    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1727    0.0000        7.6884    7.5588        8.5883    8.6146
 2     -7.8695   -7.5588       -5.2193   -4.9445       -1.8139   -2.1603
 3     -8.4430   -8.6146        4.2722    4.1187        4.6642    4.9445
 4      4.9653    4.9445       -0.1253    0.0000       -8.6174   -8.6146
 5     -2.4355   -1.9584        8.8547    8.6146        7.9281    7.5588
 6     -4.9572   -4.9445       -7.5474   -7.5588       -0.1758    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      4.6056    4.6784       11.3776   11.5686      -20.4554  -20.4876
 2     11.7847   11.9514       18.3104   18.4320      -20.3371  -20.4876
 3     11.9042   11.9514       11.4941   11.5686      -27.7740  -27.8333
 4     -7.2405   -6.8634       -7.8149   -7.2730        4.4368    4.4567
 5     -7.3698   -7.3457        4.8063    4.3097        6.7640    7.2730
 6     -9.2649   -8.7664        7.4041    7.3457        7.4271    6.8634
 Full mass-weighted force constant matrix:
 Low frequencies ---  -13.1152  -11.0020   -7.4575    0.0002    0.0010    0.0011
 Low frequencies ---   86.3683  126.1967  213.8602
 Diagonal vibrational polarizability:
        7.5773632       4.4543364       9.6209149
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     86.3617               126.1928               213.8600
 Red. masses --      4.6602                 2.6340                 1.1260
 Frc consts  --      0.0205                 0.0247                 0.0303
 IR Inten    --      3.5816                 0.6269                 0.3389
 RamAct Fr= 1--      0.9201                 0.4256                 0.1632
  Dep-P Fr= 1--      0.6928                 0.6710                 0.3947
  Dep-U Fr= 1--      0.8185                 0.8031                 0.5660
 Alpha2 Fr= 1--      0.0009                 0.0006                 0.0012
 Beta2  Fr= 1--      0.1255                 0.0570                 0.0154
 AlphaG Fr= 1--     -0.0004                -0.0002                -0.0032
 Gamma2 Fr= 1--     -0.0188                -0.0541                -0.0673
 Delta2 Fr= 1--      0.0154                 0.0066                 0.0114
 Raman1 Fr= 1--       3.680                  1.702                  0.653
 ROA1   Fr= 1--      -1.313                 -4.984                 -6.098
 CID1   Fr= 1--      -0.357                 -2.928                 -9.342
 Raman2 Fr= 1--       1.506                  0.684                  0.185
 ROA2   Fr= 1--      -0.575                 -1.352                 -1.708
 CID2   Fr= 1--      -0.382                 -1.977                 -9.244
 Raman3 Fr= 1--       3.012                  1.367                  0.369
 ROA3   Fr= 1--      -1.313                 -4.984                 -6.098
 CID3   Fr= 1--      -0.436                 -3.645                -16.506
 RC180  Fr= 1--       0.637                  0.606                  0.132
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02  -0.04    -0.04  -0.03  -0.02     0.01  -0.01  -0.01
     2   6    -0.04  -0.03  -0.17    -0.04  -0.04  -0.19     0.02  -0.01  -0.02
     3   6    -0.07  -0.02  -0.02    -0.10   0.04   0.05     0.02   0.04   0.04
     4   6     0.02  -0.00   0.09    -0.02  -0.01   0.11    -0.02  -0.00  -0.03
     5   6    -0.03  -0.00  -0.00     0.01  -0.00   0.00    -0.00  -0.00  -0.02
     6   6    -0.01  -0.09  -0.16    -0.01   0.04   0.08    -0.00   0.03  -0.00
     7   8     0.27   0.04   0.26    -0.04  -0.09   0.05     0.01  -0.03   0.02
     8   1    -0.09  -0.07  -0.25    -0.15  -0.15  -0.36    -0.00  -0.02  -0.05
     9   1     0.08   0.02  -0.21     0.19   0.04  -0.27     0.09  -0.02  -0.02
    10   1    -0.19  -0.02  -0.01    -0.25   0.15   0.04     0.01   0.15   0.02
    11   1    -0.05  -0.02  -0.02    -0.05   0.04   0.17     0.03   0.04   0.14
    12   1    -0.02   0.06   0.24    -0.05   0.01   0.20    -0.00  -0.01  -0.09
    13   1     0.17  -0.05   0.10     0.05  -0.08   0.13    -0.10  -0.01  -0.02
    14   6    -0.21   0.09  -0.00     0.20   0.09  -0.09    -0.02  -0.03   0.00
    15   1     0.03  -0.02   0.05    -0.04  -0.09  -0.10     0.01  -0.01  -0.00
    16   1    -0.02  -0.08  -0.30     0.01   0.04   0.19     0.00   0.03   0.06
    17   1     0.06  -0.24  -0.12    -0.02   0.16   0.05    -0.01   0.09  -0.02
    18   1    -0.27   0.09  -0.06     0.30   0.14   0.03    -0.34   0.39  -0.15
    19   1    -0.22   0.18   0.11     0.24   0.11  -0.21    -0.25  -0.45   0.28
    20   1    -0.28   0.09  -0.06     0.20   0.08  -0.17     0.50  -0.04  -0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --    263.5604               345.1455               364.4974
 Red. masses --      1.8583                 2.6156                 2.0499
 Frc consts  --      0.0761                 0.1836                 0.1605
 IR Inten    --      0.1709                 0.5992                 0.3745
 RamAct Fr= 1--      0.3459                 0.7842                 0.5810
  Dep-P Fr= 1--      0.2312                 0.6865                 0.6372
  Dep-U Fr= 1--      0.3756                 0.8141                 0.7784
 Alpha2 Fr= 1--      0.0043                 0.0009                 0.0012
 Beta2  Fr= 1--      0.0217                 0.1064                 0.0754
 AlphaG Fr= 1--      0.0050                -0.0019                -0.0027
 Gamma2 Fr= 1--      0.0462                -0.0461                 0.1540
 Delta2 Fr= 1--     -0.0329                -0.1153                 0.0046
 Raman1 Fr= 1--       1.383                  3.137                  2.324
 ROA1   Fr= 1--       3.381                 -8.115                 14.932
 CID1   Fr= 1--       2.444                 -2.587                  6.426
 Raman2 Fr= 1--       0.260                  1.277                  0.904
 ROA2   Fr= 1--       1.371                 -0.183                  3.659
 CID2   Fr= 1--       5.276                 -0.144                  4.046
 Raman3 Fr= 1--       0.520                  2.554                  1.809
 ROA3   Fr= 1--       3.381                 -8.115                 14.932
 CID3   Fr= 1--       6.507                 -3.178                  8.255
 RC180  Fr= 1--      -0.249                  0.628                  0.557
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.05    -0.03  -0.10  -0.09    -0.08   0.04   0.03
     2   6    -0.04  -0.00   0.04    -0.11  -0.09   0.03     0.00   0.04  -0.02
     3   6    -0.03  -0.14  -0.13    -0.04   0.05  -0.02     0.03   0.05  -0.04
     4   6     0.03  -0.00   0.04    -0.09   0.11  -0.05     0.13   0.05   0.08
     5   6     0.02  -0.00   0.04    -0.00   0.10   0.10    -0.03   0.02  -0.03
     6   6     0.01  -0.03   0.04    -0.01  -0.09  -0.07    -0.08  -0.08  -0.06
     7   8    -0.03   0.02  -0.02     0.09  -0.01  -0.01    -0.07   0.05   0.03
     8   1     0.02   0.02   0.12    -0.02   0.03   0.19     0.04  -0.07  -0.04
     9   1    -0.21   0.05   0.05    -0.22  -0.25   0.13     0.01   0.10  -0.05
    10   1     0.00  -0.40  -0.06    -0.04   0.12  -0.04    -0.02  -0.01  -0.02
    11   1    -0.07  -0.14  -0.39     0.07   0.06   0.03     0.02   0.05  -0.09
    12   1    -0.00   0.00   0.15    -0.08  -0.03  -0.19     0.08   0.22   0.36
    13   1     0.19   0.05   0.01    -0.23   0.25  -0.10     0.42  -0.09   0.11
    14   6     0.03   0.15  -0.03     0.15   0.03   0.11     0.07  -0.13   0.01
    15   1     0.00  -0.04   0.00    -0.01   0.12   0.10    -0.08   0.08  -0.05
    16   1     0.01  -0.03  -0.01    -0.19  -0.11  -0.26    -0.08  -0.07  -0.31
    17   1     0.01  -0.08   0.05     0.21  -0.29  -0.04    -0.07  -0.31   0.00
    18   1    -0.13   0.48  -0.06     0.21   0.09   0.19     0.05  -0.11   0.00
    19   1    -0.08  -0.02   0.14     0.15  -0.11  -0.03     0.02  -0.37  -0.07
    20   1     0.31   0.13  -0.25     0.29   0.04   0.16     0.28  -0.12   0.17
                      7                      8                      9
                      A                      A                      A
 Frequencies --    429.2549               465.2393               495.8876
 Red. masses --      2.3132                 2.0027                 3.8020
 Frc consts  --      0.2511                 0.2554                 0.5508
 IR Inten    --      1.0580                 1.6239                 9.7984
 RamAct Fr= 1--      1.0207                 0.5510                 1.0692
  Dep-P Fr= 1--      0.6638                 0.6891                 0.7218
  Dep-U Fr= 1--      0.7980                 0.8160                 0.8384
 Alpha2 Fr= 1--      0.0016                 0.0006                 0.0005
 Beta2  Fr= 1--      0.1357                 0.0749                 0.1494
 AlphaG Fr= 1--     -0.0047                 0.0077                -0.0089
 Gamma2 Fr= 1--     -0.5710                 0.3219                 0.0921
 Delta2 Fr= 1--      0.0588                -0.0254                 0.0430
 Raman1 Fr= 1--       4.083                  2.204                  4.277
 ROA1   Fr= 1--     -52.938                 30.092                 10.214
 CID1   Fr= 1--     -12.966                 13.655                  2.388
 Raman2 Fr= 1--       1.629                  0.899                  1.793
 ROA2   Fr= 1--     -14.174                  7.929                  1.866
 CID2   Fr= 1--      -8.702                  8.819                  1.041
 Raman3 Fr= 1--       3.258                  1.798                  3.586
 ROA3   Fr= 1--     -52.938                 30.092                 10.214
 CID3   Fr= 1--     -16.249                 16.734                  2.848
 RC180  Fr= 1--       0.596                  0.632                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02  -0.11     0.03   0.07   0.02    -0.04  -0.10   0.05
     2   6     0.01  -0.02   0.07     0.14   0.05  -0.03     0.01  -0.18  -0.04
     3   6    -0.02  -0.10   0.04     0.04  -0.12   0.08     0.08  -0.06   0.03
     4   6    -0.04   0.06   0.12    -0.10  -0.01   0.01     0.01   0.04  -0.00
     5   6    -0.08   0.06  -0.05    -0.10   0.01   0.06    -0.11   0.02  -0.01
     6   6    -0.04   0.16  -0.07    -0.05   0.01  -0.09    -0.11  -0.05   0.15
     7   8     0.09  -0.06  -0.01    -0.03   0.01  -0.01     0.13   0.27  -0.12
     8   1     0.02   0.21   0.20    -0.03  -0.08  -0.30    -0.04  -0.44  -0.22
     9   1    -0.13  -0.18   0.17     0.39   0.21  -0.16     0.25  -0.05  -0.15
    10   1    -0.04  -0.32   0.10     0.07  -0.30   0.12     0.04  -0.02   0.03
    11   1     0.00  -0.09  -0.20    -0.02  -0.12  -0.13     0.19  -0.05   0.05
    12   1    -0.04   0.23   0.25    -0.01  -0.02  -0.26     0.05   0.14  -0.03
    13   1     0.14  -0.07   0.15    -0.33   0.08  -0.00     0.01   0.01   0.01
    14   6     0.02  -0.06  -0.03     0.04   0.02   0.03    -0.02  -0.02  -0.02
    15   1    -0.03  -0.02  -0.04    -0.06  -0.06   0.06    -0.18   0.07  -0.05
    16   1    -0.07   0.15   0.22    -0.04   0.02  -0.34    -0.21  -0.07   0.44
    17   1    -0.01   0.43  -0.16     0.01  -0.24  -0.01    -0.15   0.23   0.07
    18   1     0.06  -0.13  -0.01     0.13   0.08   0.14     0.01   0.01   0.02
    19   1     0.01  -0.20  -0.15     0.07  -0.04  -0.10    -0.01  -0.08  -0.09
    20   1     0.10  -0.05   0.13     0.12   0.02   0.01     0.04  -0.01  -0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    558.5884               678.9745               750.2405
 Red. masses --      3.0234                 2.8180                 2.4778
 Frc consts  --      0.5558                 0.7654                 0.8217
 IR Inten    --      1.5593                 1.9343                 3.9991
 RamAct Fr= 1--      1.7556                10.2551                13.3288
  Dep-P Fr= 1--      0.1369                 0.0330                 0.0577
  Dep-U Fr= 1--      0.2408                 0.0639                 0.1091
 Alpha2 Fr= 1--      0.0281                 0.2109                 0.2585
 Beta2  Fr= 1--      0.0705                 0.1092                 0.2424
 AlphaG Fr= 1--      0.0503                -0.0985                 0.1197
 Gamma2 Fr= 1--     -0.2337                 0.5338                 0.1699
 Delta2 Fr= 1--      0.1689                 0.1560                -0.8474
 Raman1 Fr= 1--       7.023                 41.020                 53.315
 ROA1   Fr= 1--     -17.035                 56.238                -10.805
 CID1   Fr= 1--      -2.426                  1.371                 -0.203
 Raman2 Fr= 1--       0.846                  1.311                  2.908
 ROA2   Fr= 1--      -6.961                 11.564                 10.858
 CID2   Fr= 1--      -8.232                  8.823                  3.733
 Raman3 Fr= 1--       1.691                  2.621                  5.817
 ROA3   Fr= 1--     -17.035                 56.238                -10.805
 CID3   Fr= 1--     -10.073                 21.455                 -1.858
 RC180  Fr= 1--      -0.518                 -0.872                 -0.782
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.14  -0.04   0.18     0.22  -0.01   0.10    -0.04  -0.06  -0.10
     2   6    -0.05  -0.03   0.02     0.05   0.09  -0.01     0.03   0.16   0.01
     3   6    -0.10   0.00   0.04    -0.06   0.05  -0.09     0.01   0.14  -0.01
     4   6    -0.10   0.14   0.05    -0.03  -0.03  -0.03    -0.01   0.10   0.05
     5   6     0.12   0.14  -0.14    -0.18  -0.03   0.05    -0.03  -0.08   0.06
     6   6     0.08  -0.05   0.04    -0.06  -0.02   0.07     0.01  -0.15   0.10
     7   8     0.00  -0.05  -0.07     0.09  -0.08  -0.10     0.05  -0.04   0.00
     8   1    -0.18  -0.13  -0.19     0.06   0.22   0.07     0.02   0.11  -0.04
     9   1     0.11   0.22  -0.12    -0.17   0.21  -0.02     0.19   0.07   0.02
    10   1    -0.16  -0.21   0.10    -0.05   0.38  -0.17     0.06  -0.37   0.12
    11   1     0.04   0.02  -0.21    -0.07   0.04   0.27    -0.14   0.15  -0.54
    12   1    -0.12   0.05   0.02    -0.08   0.16   0.24     0.02  -0.03  -0.14
    13   1    -0.17   0.08   0.08     0.27  -0.07  -0.04    -0.24   0.16   0.05
    14   6    -0.03  -0.05  -0.07    -0.03  -0.01   0.01    -0.03  -0.05  -0.07
    15   1     0.13   0.04  -0.17    -0.18   0.02   0.08    -0.12  -0.02  -0.00
    16   1    -0.08  -0.06  -0.16    -0.11  -0.03  -0.03     0.05  -0.16   0.32
    17   1    -0.10  -0.27   0.14    -0.16  -0.18   0.13     0.10   0.09   0.01
    18   1    -0.19  -0.28  -0.29     0.14   0.16   0.22    -0.00   0.03  -0.02
    19   1    -0.10  -0.13   0.08     0.03  -0.05  -0.21    -0.01  -0.02  -0.09
    20   1    -0.06  -0.02   0.23     0.07  -0.02  -0.12    -0.03  -0.06  -0.20
                     13                     14                     15
                      A                      A                      A
 Frequencies --    789.9725               828.1998               880.9450
 Red. masses --      2.3025                 1.7943                 2.3549
 Frc consts  --      0.8466                 0.7251                 1.0768
 IR Inten    --      2.8254                 1.1431                 1.8895
 RamAct Fr= 1--      2.8861                 0.7300                 3.5342
  Dep-P Fr= 1--      0.1001                 0.6252                 0.4555
  Dep-U Fr= 1--      0.1820                 0.7694                 0.6259
 Alpha2 Fr= 1--      0.0505                 0.0017                 0.0212
 Beta2  Fr= 1--      0.0875                 0.0936                 0.3687
 AlphaG Fr= 1--      0.1094                -0.0129                -0.0592
 Gamma2 Fr= 1--      0.6474                 0.2880                -1.6421
 Delta2 Fr= 1--      0.3364                 0.3858                -0.9798
 Raman1 Fr= 1--      11.544                  2.920                 14.137
 ROA1   Fr= 1--      72.913                 39.991               -188.997
 CID1   Fr= 1--       6.316                 13.695                -13.369
 Raman2 Fr= 1--       1.050                  1.123                  4.424
 ROA2   Fr= 1--      12.846                  3.824                -31.572
 CID2   Fr= 1--      12.230                  3.404                 -7.136
 Raman3 Fr= 1--       2.101                  2.247                  8.848
 ROA3   Fr= 1--      72.913                 39.991               -188.997
 CID3   Fr= 1--      34.709                 17.800                -21.359
 RC180  Fr= 1--      -0.636                  0.539                  0.252
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.09  -0.00     0.02   0.03  -0.07    -0.01  -0.01   0.02
     2   6     0.02  -0.11  -0.07     0.01   0.05  -0.11     0.18  -0.04  -0.03
     3   6     0.06  -0.01  -0.03     0.01  -0.06   0.06    -0.01   0.10  -0.12
     4   6    -0.07   0.11   0.07     0.08  -0.05   0.03    -0.15  -0.04   0.10
     5   6    -0.06  -0.06   0.08     0.02   0.06  -0.02     0.07  -0.05  -0.03
     6   6     0.13   0.05   0.07    -0.09  -0.01   0.14    -0.10   0.02  -0.02
     7   8    -0.04   0.03   0.03     0.03  -0.00  -0.01     0.00   0.03  -0.01
     8   1     0.18   0.04   0.19     0.09   0.39   0.16     0.47  -0.12   0.24
     9   1    -0.26  -0.29   0.07    -0.28  -0.21   0.07    -0.09  -0.13   0.07
    10   1    -0.09   0.10  -0.04    -0.16  -0.05   0.08    -0.11   0.04  -0.09
    11   1     0.32   0.00   0.06    -0.08  -0.07   0.10     0.06   0.11  -0.17
    12   1    -0.02   0.19  -0.02     0.17  -0.11  -0.27    -0.22  -0.20   0.18
    13   1    -0.09   0.18   0.04    -0.22   0.01   0.03    -0.14  -0.09   0.12
    14   6    -0.05  -0.08  -0.12     0.01   0.02  -0.02     0.06   0.02   0.06
    15   1    -0.01  -0.16   0.07    -0.18   0.10  -0.19     0.08  -0.28  -0.12
    16   1     0.30   0.08  -0.28    -0.16  -0.01  -0.15    -0.17   0.01  -0.01
    17   1     0.19  -0.26   0.15    -0.10  -0.30   0.22    -0.21  -0.00  -0.00
    18   1     0.00   0.02  -0.04    -0.11  -0.15  -0.19    -0.10  -0.07  -0.12
    19   1    -0.02  -0.04  -0.18    -0.05  -0.05   0.11    -0.00   0.12   0.31
    20   1    -0.05  -0.09  -0.26    -0.02   0.04   0.20    -0.09   0.03   0.12
                     16                     17                     18
                      A                      A                      A
 Frequencies --    902.6595               958.3398               977.1135
 Red. masses --      1.5218                 1.7974                 2.2628
 Frc consts  --      0.7306                 0.9726                 1.2729
 IR Inten    --      1.8227                 0.6385                 1.5698
 RamAct Fr= 1--      0.8067                 3.9251                 4.6440
  Dep-P Fr= 1--      0.3912                 0.3961                 0.5812
  Dep-U Fr= 1--      0.5624                 0.5675                 0.7351
 Alpha2 Fr= 1--      0.0062                 0.0295                 0.0147
 Beta2  Fr= 1--      0.0756                 0.3712                 0.5690
 AlphaG Fr= 1--      0.0122                -0.0768                -0.1072
 Gamma2 Fr= 1--      0.0029                 2.1454                 1.2365
 Delta2 Fr= 1--      0.6350                 1.5120                -0.5599
 Raman1 Fr= 1--       3.227                 15.700                 18.576
 ROA1   Fr= 1--      20.602                254.348                100.785
 CID1   Fr= 1--       6.384                 16.200                  5.426
 Raman2 Fr= 1--       0.907                  4.455                  6.828
 ROA2   Fr= 1--      -5.009                 39.395                 34.154
 CID2   Fr= 1--      -5.520                  8.843                  5.002
 Raman3 Fr= 1--       1.815                  8.909                 13.655
 ROA3   Fr= 1--      20.602                254.348                100.785
 CID3   Fr= 1--      11.352                 28.548                  7.381
 RC180  Fr= 1--       0.125                  0.135                  0.470
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.00  -0.09    -0.06  -0.01  -0.03    -0.02  -0.06   0.01
     2   6     0.03   0.00   0.05     0.10   0.04   0.02     0.04  -0.00   0.07
     3   6    -0.02  -0.00   0.02    -0.03  -0.06  -0.05    -0.07   0.01  -0.05
     4   6    -0.09  -0.02  -0.09    -0.05  -0.04   0.02     0.08  -0.05   0.05
     5   6     0.00   0.03  -0.01    -0.05   0.09   0.00     0.07   0.08   0.15
     6   6     0.02   0.04   0.11     0.11  -0.10   0.02    -0.07   0.11  -0.01
     7   8     0.02  -0.00   0.01    -0.02   0.02   0.03     0.02   0.00  -0.01
     8   1    -0.11  -0.00  -0.11     0.17  -0.07   0.05     0.08  -0.24  -0.01
     9   1     0.33  -0.15   0.05     0.03   0.10   0.01     0.11   0.16  -0.02
    10   1     0.29  -0.05  -0.02    -0.01   0.21  -0.12    -0.07   0.11  -0.08
    11   1    -0.10  -0.01  -0.05    -0.15  -0.08   0.27    -0.24  -0.01   0.12
    12   1    -0.18   0.18   0.35    -0.08  -0.07   0.07     0.03  -0.34  -0.07
    13   1     0.36  -0.20  -0.06     0.05   0.11  -0.05    -0.05   0.27  -0.06
    14   6     0.03  -0.01  -0.00    -0.03   0.08  -0.05    -0.03  -0.09  -0.15
    15   1    -0.09   0.04  -0.09    -0.10  -0.01  -0.10     0.12   0.09   0.21
    16   1    -0.09   0.03  -0.24     0.19  -0.10   0.20    -0.42   0.08  -0.16
    17   1     0.24  -0.28   0.18     0.25   0.14  -0.07     0.30  -0.08   0.00
    18   1    -0.10  -0.01  -0.12     0.02  -0.24  -0.11    -0.05  -0.03  -0.15
    19   1    -0.00   0.11   0.19    -0.09  -0.31  -0.24    -0.02  -0.03  -0.13
    20   1    -0.10  -0.01  -0.06     0.14   0.12   0.48    -0.05  -0.09  -0.25
                     19                     20                     21
                      A                      A                      A
 Frequencies --    982.4575              1039.0991              1066.6877
 Red. masses --      1.5626                 1.9243                 1.4816
 Frc consts  --      0.8887                 1.2242                 0.9932
 IR Inten    --      1.2206                 0.8051                 4.2558
 RamAct Fr= 1--      3.8625                 2.2906                 4.6529
  Dep-P Fr= 1--      0.6811                 0.7131                 0.6640
  Dep-U Fr= 1--      0.8103                 0.8325                 0.7981
 Alpha2 Fr= 1--      0.0047                 0.0015                 0.0071
 Beta2  Fr= 1--      0.5216                 0.3178                 0.6189
 AlphaG Fr= 1--     -0.0258                 0.0101                -0.0331
 Gamma2 Fr= 1--     -1.4753                -1.5142                 0.3466
 Delta2 Fr= 1--     -0.7732                -0.7953                 0.0155
 Raman1 Fr= 1--      15.450                  9.163                 18.612
 ROA1   Fr= 1--    -166.371               -170.814                 33.768
 CID1   Fr= 1--     -10.768                -18.643                  1.814
 Raman2 Fr= 1--       6.260                  3.814                  7.427
 ROA2   Fr= 1--     -29.221                -29.979                  8.194
 CID2   Fr= 1--      -4.668                 -7.860                  1.103
 Raman3 Fr= 1--      12.519                  7.628                 14.853
 ROA3   Fr= 1--    -166.371               -170.814                 33.768
 CID3   Fr= 1--     -13.289                -22.393                  2.273
 RC180  Fr= 1--       0.621                  0.665                  0.596
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.02    -0.03  -0.01   0.01    -0.01   0.02  -0.03
     2   6     0.02  -0.07  -0.01     0.15   0.00  -0.03    -0.00   0.03  -0.04
     3   6    -0.05   0.11   0.02    -0.13  -0.08   0.06     0.06  -0.04   0.01
     4   6     0.04  -0.09  -0.02     0.00   0.08  -0.07    -0.08  -0.00   0.01
     5   6    -0.03   0.04  -0.04     0.05   0.04  -0.05     0.13   0.04   0.01
     6   6     0.06   0.04   0.02     0.02  -0.07  -0.01    -0.04  -0.04   0.02
     7   8    -0.00   0.01  -0.00    -0.03   0.03   0.02    -0.01   0.01   0.01
     8   1     0.15  -0.14   0.09     0.27   0.07   0.14    -0.12   0.29  -0.05
     9   1     0.10  -0.32   0.08    -0.10  -0.07   0.05     0.02  -0.12   0.02
    10   1    -0.05  -0.26   0.11    -0.37  -0.01   0.08     0.25   0.06  -0.05
    11   1    -0.20   0.11  -0.34    -0.26  -0.09   0.15     0.22  -0.03   0.04
    12   1     0.00  -0.21  -0.00     0.03   0.26  -0.01    -0.20  -0.19   0.21
    13   1    -0.09  -0.26   0.06     0.07  -0.07  -0.02     0.09   0.04  -0.02
    14   6    -0.07   0.03   0.02     0.00  -0.07   0.04    -0.08  -0.01  -0.02
    15   1     0.01   0.25   0.10     0.08   0.32   0.11     0.35   0.06   0.24
    16   1     0.14   0.06  -0.13    -0.03  -0.08   0.16    -0.20  -0.07   0.11
    17   1    -0.07  -0.10   0.08     0.02   0.10  -0.07    -0.33  -0.01   0.05
    18   1     0.16   0.08   0.25     0.03   0.23   0.16     0.14   0.07   0.20
    19   1     0.00  -0.15  -0.35     0.08   0.20   0.05     0.01  -0.12  -0.36
    20   1     0.18   0.03   0.05    -0.06  -0.10  -0.41     0.15  -0.01  -0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1077.9072              1127.5831              1148.2491
 Red. masses --      1.5424                 1.2484                 2.1498
 Frc consts  --      1.0558                 0.9352                 1.6700
 IR Inten    --      5.6606                17.5679                 0.6188
 RamAct Fr= 1--      0.6246                 3.3663                 2.7369
  Dep-P Fr= 1--      0.5580                 0.6962                 0.7219
  Dep-U Fr= 1--      0.7163                 0.8209                 0.8385
 Alpha2 Fr= 1--      0.0023                 0.0032                 0.0013
 Beta2  Fr= 1--      0.0746                 0.4605                 0.3825
 AlphaG Fr= 1--      0.0258                 0.0212                -0.0033
 Gamma2 Fr= 1--     -0.2786                 0.4283                -0.0437
 Delta2 Fr= 1--     -0.1571                 0.3048                -0.0250
 Raman1 Fr= 1--       2.499                 13.465                 10.948
 ROA1   Fr= 1--     -31.768                 50.874                 -4.994
 CID1   Fr= 1--     -12.715                  3.778                 -0.456
 Raman2 Fr= 1--       0.895                  5.526                  4.590
 ROA2   Fr= 1--      -5.429                  7.841                 -0.848
 CID2   Fr= 1--      -6.066                  1.419                 -0.185
 Raman3 Fr= 1--       1.790                 11.053                  9.179
 ROA3   Fr= 1--     -31.768                 50.874                 -4.994
 CID3   Fr= 1--     -17.750                  4.603                 -0.544
 RC180  Fr= 1--       0.433                  0.642                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.07  -0.02     0.04   0.08  -0.03     0.07   0.01   0.13
     2   6     0.04  -0.06   0.04     0.02  -0.05   0.04    -0.02  -0.02  -0.13
     3   6    -0.12  -0.01   0.00    -0.03  -0.00  -0.02     0.03   0.05   0.08
     4   6     0.06   0.08  -0.02     0.01  -0.01   0.02    -0.03  -0.05  -0.07
     5   6     0.02  -0.08   0.03    -0.01   0.04   0.01    -0.03   0.05   0.14
     6   6    -0.05  -0.01  -0.01    -0.04  -0.04  -0.01    -0.01  -0.05  -0.10
     7   8     0.00  -0.00  -0.00    -0.01  -0.01   0.01    -0.05   0.02  -0.00
     8   1    -0.09   0.04  -0.06    -0.13   0.06  -0.08     0.04   0.28   0.09
     9   1     0.33  -0.36   0.11     0.03   0.08  -0.02    -0.06  -0.39   0.05
    10   1     0.08   0.03  -0.04    -0.06   0.03  -0.03     0.25  -0.18   0.11
    11   1    -0.21  -0.01   0.06     0.45   0.03  -0.03    -0.14   0.05  -0.17
    12   1     0.01  -0.08  -0.02    -0.17  -0.44   0.14    -0.09  -0.00   0.17
    13   1     0.16   0.48  -0.18    -0.08  -0.07   0.05     0.19  -0.01  -0.09
    14   6     0.01   0.03  -0.01     0.02  -0.03  -0.00     0.06   0.00  -0.08
    15   1    -0.03  -0.13  -0.04    -0.36   0.48  -0.11    -0.07   0.07   0.11
    16   1     0.27   0.03  -0.00     0.23  -0.01   0.07    -0.12  -0.07   0.24
    17   1    -0.45  -0.01   0.04     0.09   0.09  -0.06     0.23   0.21  -0.19
    18   1    -0.01  -0.10  -0.06    -0.05   0.05  -0.04    -0.13  -0.15  -0.30
    19   1    -0.03  -0.07   0.01     0.02   0.08   0.09    -0.04  -0.02   0.17
    20   1     0.02   0.03   0.14    -0.06  -0.04  -0.12    -0.11   0.01   0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1199.4517              1246.9655              1249.8704
 Red. masses --      1.7195                 1.7890                 1.2696
 Frc consts  --      1.4575                 1.6390                 1.1686
 IR Inten    --      2.9749                23.0858                 7.0828
 RamAct Fr= 1--      2.7630                 2.5429                 8.9646
  Dep-P Fr= 1--      0.7271                 0.6405                 0.6444
  Dep-U Fr= 1--      0.8420                 0.7809                 0.7838
 Alpha2 Fr= 1--      0.0011                 0.0050                 0.0171
 Beta2  Fr= 1--      0.3877                 0.3309                 1.1710
 AlphaG Fr= 1--      0.0147                 0.0252                 0.0347
 Gamma2 Fr= 1--      3.4393                -0.6847                 2.4964
 Delta2 Fr= 1--      0.7998                -0.4782                -0.3458
 Raman1 Fr= 1--      11.052                 10.172                 35.859
 ROA1   Fr= 1--     355.764                -81.039                228.584
 CID1   Fr= 1--      32.190                 -7.967                  6.375
 Raman2 Fr= 1--       4.653                  3.971                 14.052
 ROA2   Fr= 1--      76.143                -12.608                 62.679
 CID2   Fr= 1--      16.365                 -3.175                  4.460
 Raman3 Fr= 1--       9.306                  7.943                 28.105
 ROA3   Fr= 1--     355.764                -81.039                228.584
 CID3   Fr= 1--      38.231                -10.203                  8.133
 RC180  Fr= 1--       0.684                  0.562                  0.568
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.02   0.03     0.08   0.18  -0.09     0.05   0.05   0.03
     2   6    -0.05   0.04  -0.03    -0.06  -0.02   0.04     0.01  -0.02   0.01
     3   6     0.06  -0.02  -0.07     0.01   0.01  -0.04    -0.04   0.00  -0.05
     4   6    -0.01  -0.03   0.12    -0.02  -0.04   0.01     0.03   0.01   0.03
     5   6    -0.06   0.11  -0.07     0.00   0.04   0.06     0.01  -0.03  -0.07
     6   6     0.06  -0.02  -0.02     0.03  -0.07   0.00    -0.00  -0.01   0.01
     7   8    -0.00  -0.00  -0.00    -0.01  -0.03   0.01    -0.04   0.02   0.02
     8   1     0.01  -0.04   0.01     0.16  -0.49   0.04    -0.16   0.22  -0.06
     9   1     0.21  -0.31   0.07     0.14  -0.07   0.02     0.23  -0.27   0.07
    10   1     0.42   0.13  -0.16    -0.11   0.01  -0.02     0.01   0.06  -0.07
    11   1    -0.43  -0.06   0.15     0.01   0.00   0.02     0.11   0.01  -0.00
    12   1     0.02  -0.12  -0.06     0.15   0.37  -0.13     0.08   0.01  -0.11
    13   1    -0.14   0.20   0.04    -0.09  -0.25   0.09    -0.05   0.04   0.02
    14   6     0.03  -0.08   0.04     0.02   0.00  -0.03    -0.04   0.00   0.04
    15   1    -0.08   0.10  -0.10     0.09   0.04   0.15    -0.06  -0.25  -0.23
    16   1     0.11  -0.01   0.01    -0.41  -0.13   0.22    -0.48  -0.07   0.11
    17   1    -0.20   0.03   0.00    -0.28   0.02   0.02     0.54   0.03  -0.07
    18   1    -0.06   0.19   0.04    -0.05  -0.06  -0.11     0.08   0.06   0.17
    19   1     0.08   0.21   0.14    -0.01  -0.02   0.03     0.01   0.00  -0.08
    20   1    -0.11  -0.09  -0.25    -0.04  -0.00  -0.02     0.07  -0.00  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1279.4185              1309.6035              1341.5270
 Red. masses --      1.3875                 1.4698                 1.4927
 Frc consts  --      1.3382                 1.4853                 1.5828
 IR Inten    --      4.3570                 3.4092                12.5371
 RamAct Fr= 1--      4.2665                 4.6774                 4.1687
  Dep-P Fr= 1--      0.6438                 0.7468                 0.7396
  Dep-U Fr= 1--      0.7833                 0.8551                 0.8503
 Alpha2 Fr= 1--      0.0082                 0.0003                 0.0007
 Beta2  Fr= 1--      0.5570                 0.6666                 0.5908
 AlphaG Fr= 1--      0.0431                -0.0011                -0.0030
 Gamma2 Fr= 1--     -4.0702                 0.2784                -1.1567
 Delta2 Fr= 1--     -0.7417                 0.8419                -0.4980
 Raman1 Fr= 1--      17.066                 18.710                 16.675
 ROA1   Fr= 1--    -414.476                 53.670               -126.981
 CID1   Fr= 1--     -24.287                  2.869                 -7.615
 Raman2 Fr= 1--       6.684                  7.999                  7.090
 ROA2   Fr= 1--     -91.752                 -0.053                -23.778
 CID2   Fr= 1--     -13.727                 -0.007                 -3.354
 Raman3 Fr= 1--      13.368                 15.998                 14.179
 ROA3   Fr= 1--    -414.476                 53.670               -126.981
 CID3   Fr= 1--     -31.004                  3.355                 -8.955
 RC180  Fr= 1--       0.567                  0.710                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.07   0.02     0.02  -0.01   0.04    -0.01  -0.05   0.04
     2   6     0.05  -0.00   0.04    -0.03   0.02   0.01    -0.08   0.15  -0.02
     3   6    -0.02   0.01  -0.07     0.03  -0.03  -0.07     0.04  -0.06   0.01
     4   6     0.03  -0.02   0.00    -0.04   0.04   0.02     0.00   0.04  -0.03
     5   6    -0.08   0.04   0.03     0.09  -0.04   0.03    -0.02  -0.04  -0.00
     6   6     0.06   0.00  -0.01    -0.13  -0.00   0.00     0.03   0.03  -0.02
     7   8    -0.01   0.02   0.01     0.01  -0.00  -0.02     0.01  -0.00  -0.01
     8   1    -0.32   0.45  -0.14    -0.04   0.01  -0.01     0.27  -0.28   0.14
     9   1     0.24  -0.15   0.07     0.22  -0.22   0.06     0.38  -0.40   0.13
    10   1    -0.28   0.08  -0.06    -0.01   0.12  -0.10    -0.47   0.03   0.06
    11   1     0.24   0.02  -0.03    -0.21  -0.05   0.09     0.28  -0.04   0.04
    12   1     0.10   0.08  -0.10     0.09   0.30  -0.10    -0.15  -0.28   0.11
    13   1    -0.15  -0.25   0.10    -0.19  -0.40   0.20     0.10   0.04  -0.05
    14   6     0.05   0.00  -0.03    -0.02   0.02  -0.02     0.00   0.01   0.00
    15   1     0.24  -0.04   0.30     0.02   0.25   0.10    -0.10   0.07  -0.03
    16   1    -0.03  -0.01  -0.01     0.47   0.07  -0.03    -0.10   0.02  -0.02
    17   1    -0.28  -0.02   0.04     0.30   0.02  -0.05    -0.02  -0.03   0.01
    18   1    -0.08  -0.04  -0.15     0.05  -0.08  -0.00     0.01  -0.03  -0.00
    19   1    -0.01   0.00   0.12    -0.03  -0.06  -0.05    -0.02  -0.04   0.01
    20   1    -0.10   0.01   0.03     0.08   0.03   0.06    -0.01   0.01   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1360.5266              1373.9865              1382.6947
 Red. masses --      1.5157                 1.3965                 1.4384
 Frc consts  --      1.6531                 1.5533                 1.6203
 IR Inten    --      5.5469                 0.9055                 2.5925
 RamAct Fr= 1--      4.2128                 0.8308                 1.4500
  Dep-P Fr= 1--      0.7098                 0.7221                 0.7498
  Dep-U Fr= 1--      0.8303                 0.8386                 0.8570
 Alpha2 Fr= 1--      0.0029                 0.0004                 0.0000
 Beta2  Fr= 1--      0.5830                 0.1161                 0.2071
 AlphaG Fr= 1--     -0.0042                 0.0011                 0.0007
 Gamma2 Fr= 1--     -0.9681                 0.9230                 0.7486
 Delta2 Fr= 1--     -0.0988                 0.9090                 0.0610
 Raman1 Fr= 1--      16.851                  3.323                  5.800
 ROA1   Fr= 1--     -96.104                117.698                 73.817
 CID1   Fr= 1--      -5.703                 35.417                 12.727
 Raman2 Fr= 1--       6.996                  1.393                  2.485
 ROA2   Fr= 1--     -22.445                 14.880                 17.479
 CID2   Fr= 1--      -3.208                 10.679                  7.033
 Raman3 Fr= 1--      13.991                  2.787                  4.971
 ROA3   Fr= 1--     -96.104                117.698                 73.817
 CID3   Fr= 1--      -6.869                 42.234                 14.850
 RC180  Fr= 1--       0.661                  0.677                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.01    -0.00  -0.00   0.01     0.03   0.06  -0.02
     2   6     0.01   0.02  -0.03    -0.01   0.05  -0.02    -0.01  -0.01  -0.00
     3   6    -0.08  -0.04   0.01    -0.10   0.01   0.03     0.02  -0.02   0.01
     4   6     0.03   0.07   0.03    -0.01  -0.10   0.03     0.06   0.09  -0.04
     5   6    -0.03  -0.14  -0.04    -0.02   0.04  -0.05    -0.09   0.03  -0.06
     6   6     0.06   0.04  -0.01    -0.06  -0.02   0.03    -0.06  -0.03   0.04
     7   8    -0.00   0.01   0.00     0.01  -0.01  -0.01     0.00  -0.01  -0.00
     8   1     0.11  -0.08   0.02     0.17  -0.14   0.08     0.04  -0.12   0.00
     9   1    -0.10   0.01  -0.00     0.07  -0.06   0.02    -0.05   0.01  -0.00
    10   1     0.55   0.10  -0.12     0.19   0.00  -0.02     0.01  -0.01   0.02
    11   1     0.07  -0.02   0.02     0.53   0.05  -0.12    -0.17  -0.04   0.07
    12   1    -0.01  -0.07  -0.00     0.17   0.25  -0.16    -0.17  -0.46   0.14
    13   1    -0.19  -0.11   0.12     0.13   0.30  -0.14    -0.08  -0.20   0.08
    14   6     0.03   0.04  -0.02     0.01  -0.02  -0.02     0.03  -0.00   0.00
    15   1     0.00   0.50   0.30     0.30  -0.00   0.23     0.50  -0.34   0.33
    16   1    -0.34  -0.01   0.00     0.27   0.02  -0.02     0.13  -0.02   0.07
    17   1    -0.01  -0.06   0.03     0.20   0.02  -0.02     0.27  -0.03   0.01
    18   1     0.03  -0.10  -0.06     0.02   0.11   0.04    -0.06   0.04  -0.07
    19   1    -0.06  -0.09   0.12     0.01   0.12   0.11     0.01   0.01   0.05
    20   1    -0.04   0.05   0.13     0.00  -0.00   0.12    -0.10   0.00   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1396.2077              1421.4058              1466.3572
 Red. masses --      1.4178                 1.2549                 1.1000
 Frc consts  --      1.6284                 1.4938                 1.3936
 IR Inten    --      0.5821                 7.8309                 8.7816
 RamAct Fr= 1--      0.4718                 0.1729                10.5112
  Dep-P Fr= 1--      0.3307                 0.5490                 0.7495
  Dep-U Fr= 1--      0.4971                 0.7089                 0.8568
 Alpha2 Fr= 1--      0.0044                 0.0007                 0.0001
 Beta2  Fr= 1--      0.0391                 0.0204                 1.5010
 AlphaG Fr= 1--     -0.0284                -0.0014                -0.0082
 Gamma2 Fr= 1--      0.1015                 0.1540                -0.3521
 Delta2 Fr= 1--     -0.1186                 0.0201                 0.1973
 Raman1 Fr= 1--       1.887                  0.692                 42.045
 ROA1   Fr= 1--       5.949                 15.424                -27.486
 CID1   Fr= 1--       3.153                 22.303                 -0.654
 Raman2 Fr= 1--       0.469                  0.245                 18.012
 ROA2   Fr= 1--       3.385                  3.534                -10.028
 CID2   Fr= 1--       7.217                 14.417                 -0.557
 Raman3 Fr= 1--       0.938                  0.490                 36.024
 ROA3   Fr= 1--       5.949                 15.424                -27.486
 CID3   Fr= 1--       6.343                 31.463                 -0.763
 RC180  Fr= 1--      -0.006                  0.418                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.01    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
     2   6    -0.01  -0.05   0.02     0.00   0.01   0.00     0.04   0.04   0.02
     3   6     0.11   0.03  -0.01    -0.00  -0.01   0.00     0.01   0.00   0.00
     4   6    -0.06  -0.04   0.04     0.02   0.02  -0.02    -0.01  -0.01   0.01
     5   6    -0.02  -0.07  -0.08     0.01   0.01   0.04    -0.00   0.00  -0.01
     6   6    -0.01  -0.00   0.02     0.01   0.01  -0.02    -0.01   0.04  -0.05
     7   8    -0.01   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   1    -0.13   0.13  -0.03    -0.01  -0.03  -0.03    -0.20  -0.23  -0.38
     9   1     0.04   0.07  -0.03    -0.04  -0.02   0.02    -0.36  -0.22   0.20
    10   1    -0.40  -0.04   0.08     0.01   0.05  -0.02    -0.04   0.02   0.00
    11   1    -0.29   0.00   0.00    -0.03  -0.01  -0.03     0.01   0.01  -0.03
    12   1    -0.04   0.02   0.03    -0.04  -0.03   0.08     0.01   0.01  -0.02
    13   1     0.16   0.41  -0.15    -0.10  -0.13   0.05     0.04   0.05  -0.02
    14   6     0.02   0.01  -0.03    -0.04  -0.06  -0.11     0.00   0.00   0.02
    15   1     0.13   0.44   0.32    -0.07  -0.11  -0.10    -0.01   0.03  -0.00
    16   1    -0.11  -0.01   0.01    -0.02  -0.00   0.08     0.09   0.02   0.50
    17   1     0.15  -0.02   0.00    -0.08  -0.07   0.02     0.06  -0.48   0.11
    18   1     0.09   0.04   0.05     0.29   0.30   0.34    -0.06  -0.04  -0.06
    19   1    -0.04   0.05   0.19    -0.07   0.36   0.39     0.04   0.03  -0.06
    20   1     0.01   0.03   0.19     0.19   0.00   0.52     0.05  -0.00  -0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1474.7473              1488.6805              1498.7037
 Red. masses --      1.0886                 1.0714                 1.0598
 Frc consts  --      1.3949                 1.3989                 1.4025
 IR Inten    --      9.6688                 2.8086                 7.7256
 RamAct Fr= 1--      4.3400                 7.9497                 5.6200
  Dep-P Fr= 1--      0.7464                 0.7475                 0.7374
  Dep-U Fr= 1--      0.8548                 0.8555                 0.8489
 Alpha2 Fr= 1--      0.0003                 0.0003                 0.0012
 Beta2  Fr= 1--      0.6183                 1.1335                 0.7951
 AlphaG Fr= 1--      0.0010                -0.0046                 0.0038
 Gamma2 Fr= 1--      0.7471                -2.3227                -1.0223
 Delta2 Fr= 1--      0.2997                -1.0574                -0.0215
 Raman1 Fr= 1--      17.360                 31.799                 22.480
 ROA1   Fr= 1--      81.310               -256.818                -98.830
 CID1   Fr= 1--       4.684                 -8.076                 -4.396
 Raman2 Fr= 1--       7.420                 13.602                  9.541
 ROA2   Fr= 1--      15.533                -47.287                -24.363
 CID2   Fr= 1--       2.093                 -3.477                 -2.553
 Raman3 Fr= 1--      14.839                 27.203                 19.082
 ROA3   Fr= 1--      81.310               -256.818                -98.830
 CID3   Fr= 1--       5.479                 -9.441                 -5.179
 RC180  Fr= 1--       0.710                  0.711                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01     0.00   0.00  -0.00    -0.01   0.00   0.00
     2   6    -0.04  -0.04  -0.01     0.01   0.00   0.01     0.01   0.01  -0.00
     3   6    -0.01   0.00  -0.00     0.00  -0.02   0.03    -0.01   0.02  -0.03
     4   6    -0.02   0.02   0.01    -0.04   0.03   0.03    -0.01   0.01   0.01
     5   6    -0.00   0.00   0.00     0.01   0.01   0.01    -0.01   0.03  -0.01
     6   6     0.00   0.03  -0.04     0.00  -0.01   0.01     0.00  -0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   1     0.19   0.24   0.38    -0.05  -0.05  -0.08    -0.02  -0.02  -0.05
     9   1     0.35   0.26  -0.21    -0.09  -0.03   0.04    -0.05  -0.03   0.02
    10   1     0.04  -0.04   0.00    -0.02   0.28  -0.06     0.05  -0.30   0.07
    11   1    -0.00  -0.00   0.04    -0.06   0.00  -0.28     0.06   0.01   0.30
    12   1     0.04  -0.10  -0.21     0.08  -0.20  -0.44     0.02  -0.08  -0.15
    13   1     0.21  -0.10   0.03     0.46  -0.18   0.05     0.17  -0.05   0.01
    14   6    -0.00  -0.00   0.00     0.03  -0.00  -0.02    -0.01   0.03  -0.02
    15   1    -0.01   0.00  -0.01    -0.03  -0.01  -0.04     0.02  -0.05  -0.01
    16   1     0.07   0.01   0.44    -0.01  -0.00  -0.08     0.03  -0.00   0.00
    17   1     0.01  -0.43   0.11    -0.02   0.08  -0.02    -0.01  -0.00   0.00
    18   1    -0.04  -0.01  -0.03     0.05   0.25   0.11     0.40  -0.36   0.24
    19   1     0.03   0.06  -0.03    -0.08  -0.27   0.00    -0.23  -0.21   0.42
    20   1     0.05  -0.00   0.01    -0.38   0.01   0.09     0.02  -0.01  -0.33
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1504.3794              1513.1215              1786.0520
 Red. masses --      1.0664                 1.0739                10.8447
 Frc consts  --      1.4219                 1.4487                20.3825
 IR Inten    --      5.9725                 5.0046               212.6753
 RamAct Fr= 1--      1.2789                 3.3554                19.2980
  Dep-P Fr= 1--      0.4393                 0.6802                 0.4992
  Dep-U Fr= 1--      0.6104                 0.8096                 0.6660
 Alpha2 Fr= 1--      0.0082                 0.0041                 0.0956
 Beta2  Fr= 1--      0.1301                 0.4528                 2.1420
 AlphaG Fr= 1--     -0.0057                 0.0242                -0.0259
 Gamma2 Fr= 1--     -0.1608                 0.6461                 0.8912
 Delta2 Fr= 1--      0.1106                 0.3513                -0.1776
 Raman1 Fr= 1--       5.115                 13.422                 77.192
 ROA1   Fr= 1--     -11.898                 73.263                 79.877
 CID1   Fr= 1--      -2.326                  5.459                  1.035
 Raman2 Fr= 1--       1.561                  5.433                 25.704
 ROA2   Fr= 1--      -4.744                 12.695                 22.810
 CID2   Fr= 1--      -3.039                  2.336                  0.887
 Raman3 Fr= 1--       3.123                 10.867                 51.408
 ROA3   Fr= 1--     -11.898                 73.263                 79.877
 CID3   Fr= 1--      -3.810                  6.742                  1.554
 RC180  Fr= 1--       0.221                  0.619                  0.332
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.01  -0.00     0.55  -0.40  -0.33
     2   6     0.01   0.01   0.00    -0.00  -0.01   0.00    -0.03   0.03   0.02
     3   6    -0.00   0.01  -0.01     0.01  -0.04   0.05    -0.01   0.01   0.00
     4   6    -0.03   0.03   0.02     0.01  -0.01   0.00     0.00  -0.00   0.00
     5   6    -0.02  -0.02   0.01    -0.02   0.02  -0.00    -0.02   0.01   0.00
     6   6     0.01  -0.01   0.02     0.00  -0.00   0.00    -0.04   0.02   0.03
     7   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.36   0.26   0.21
     8   1    -0.04  -0.05  -0.09     0.02   0.01   0.04     0.10  -0.25  -0.02
     9   1    -0.08  -0.06   0.05     0.02   0.04  -0.02    -0.06   0.11  -0.03
    10   1     0.02  -0.13   0.03    -0.05   0.53  -0.11     0.05  -0.04   0.00
    11   1     0.01   0.01   0.14    -0.09  -0.01  -0.52     0.03   0.02   0.02
    12   1     0.05  -0.19  -0.35    -0.00  -0.01   0.03     0.00  -0.01  -0.01
    13   1     0.36  -0.15   0.05    -0.02   0.03  -0.01     0.00   0.00  -0.00
    14   6    -0.03  -0.02   0.01    -0.03   0.02   0.01     0.00   0.00  -0.00
    15   1     0.01   0.04   0.07     0.03  -0.03   0.02     0.01  -0.02   0.03
    16   1    -0.06  -0.01  -0.18     0.01  -0.00   0.00     0.23   0.03  -0.14
    17   1    -0.02   0.17  -0.04    -0.00   0.00   0.00    -0.13  -0.02   0.03
    18   1    -0.17  -0.15  -0.19     0.14  -0.41   0.00     0.02  -0.03   0.00
    19   1     0.16   0.44  -0.10    -0.04   0.11   0.19    -0.01   0.01   0.04
    20   1     0.47  -0.01   0.07     0.32  -0.01  -0.26     0.01  -0.00  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3009.0785              3010.6625              3017.1934
 Red. masses --      1.0683                 1.0687                 1.0687
 Frc consts  --      5.6989                 5.7075                 5.7319
 IR Inten    --      0.7721                19.2033                19.0713
 RamAct Fr= 1--     43.7432               113.5124                71.0342
  Dep-P Fr= 1--      0.2097                 0.3354                 0.3541
  Dep-U Fr= 1--      0.3467                 0.5023                 0.5230
 Alpha2 Fr= 1--      0.5788                 1.0443                 0.6154
 Beta2  Fr= 1--      2.5279                 9.5024                 6.1917
 AlphaG Fr= 1--      1.6578                -0.4488                -0.6566
 Gamma2 Fr= 1--      0.3460                -4.9106                14.3215
 Delta2 Fr= 1--      1.1373                -4.8526                 5.8997
 Raman1 Fr= 1--     174.973                454.049                284.137
 ROA1   Fr= 1--      69.610               -626.701               1563.654
 CID1   Fr= 1--       0.398                 -1.380                  5.503
 Raman2 Fr= 1--      30.335                114.029                 74.300
 ROA2   Fr= 1--      -0.795                -79.033                296.518
 CID2   Fr= 1--      -0.026                 -0.693                  3.991
 Raman3 Fr= 1--      60.670                228.058                148.600
 ROA3   Fr= 1--      69.610               -626.701               1563.654
 CID3   Fr= 1--       1.147                 -2.748                 10.523
 RC180  Fr= 1--      -0.307                  0.005                  0.046
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.02  -0.03  -0.05    -0.01  -0.01  -0.01    -0.01  -0.02  -0.02
     3   6     0.00   0.01   0.01     0.00   0.01   0.01     0.00   0.00   0.00
     4   6    -0.00   0.00   0.01     0.02  -0.03  -0.05    -0.01   0.01   0.02
     5   6     0.01   0.01  -0.01    -0.02  -0.01   0.02    -0.02  -0.01   0.02
     6   6     0.00  -0.00   0.03    -0.00   0.00  -0.00    -0.01   0.00  -0.06
     7   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   1     0.14   0.06  -0.15     0.03   0.01  -0.03     0.07   0.03  -0.07
     9   1     0.15   0.33   0.76     0.03   0.07   0.17     0.07   0.16   0.36
    10   1    -0.01  -0.03  -0.11    -0.02  -0.04  -0.15    -0.01  -0.02  -0.05
    11   1     0.00  -0.04   0.00     0.01  -0.07  -0.00    -0.00   0.01   0.00
    12   1     0.05  -0.02   0.02    -0.31   0.09  -0.13     0.10  -0.03   0.05
    13   1    -0.01  -0.03  -0.09     0.08   0.27   0.73    -0.03  -0.10  -0.26
    14   6    -0.00  -0.00   0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    15   1    -0.13  -0.06   0.13     0.28   0.14  -0.29     0.23   0.12  -0.24
    16   1    -0.01   0.12   0.01     0.00  -0.01   0.00     0.02  -0.24  -0.02
    17   1    -0.04  -0.12  -0.38     0.00   0.00   0.01     0.08   0.22   0.69
    18   1     0.02   0.01  -0.02    -0.06  -0.02   0.06    -0.04  -0.02   0.04
    19   1    -0.01   0.00  -0.00     0.02  -0.01   0.01    -0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00   0.01  -0.00     0.00  -0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3029.8022              3033.1190              3038.0528
 Red. masses --      1.0699                 1.0482                 1.0603
 Frc consts  --      5.7868                 5.6816                 5.7661
 IR Inten    --     47.4115                15.1479                17.0666
 RamAct Fr= 1--    132.7432               239.2387               194.7469
  Dep-P Fr= 1--      0.2492                 0.0331                 0.0816
  Dep-U Fr= 1--      0.3989                 0.0641                 0.1509
 Alpha2 Fr= 1--      1.5769                 4.9189                 3.5657
 Beta2  Fr= 1--      8.8262                 2.5557                 4.8989
 AlphaG Fr= 1--      0.7580                 1.2733                -1.9446
 Gamma2 Fr= 1--      8.7014                -6.6723                -9.2620
 Delta2 Fr= 1--      4.6787                -3.2867                -8.9126
 Raman1 Fr= 1--     530.973                956.955                778.988
 ROA1   Fr= 1--     985.050               -745.718              -1174.354
 CID1   Fr= 1--       1.855                 -0.779                 -1.508
 Raman2 Fr= 1--     105.914                 30.668                 58.786
 ROA2   Fr= 1--     171.403               -133.842               -150.987
 CID2   Fr= 1--       1.618                 -4.364                 -2.568
 Raman3 Fr= 1--     211.828                 61.337                117.573
 ROA3   Fr= 1--     985.050               -745.718              -1174.354
 CID3   Fr= 1--       4.650                -12.158                 -9.988
 RC180  Fr= 1--      -0.202                 -0.872                 -0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.00   0.00
     3   6     0.00   0.00   0.01     0.00  -0.01   0.02    -0.01   0.03  -0.05
     4   6     0.00  -0.01  -0.02    -0.01   0.01   0.01     0.02  -0.00   0.02
     5   6     0.04   0.02  -0.04    -0.02  -0.01   0.02    -0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.03     0.00   0.00   0.02     0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     8   1     0.00   0.00  -0.00    -0.03  -0.02   0.03     0.06   0.03  -0.06
     9   1     0.01   0.02   0.05    -0.01  -0.03  -0.07     0.01   0.02   0.05
    10   1    -0.02  -0.04  -0.15    -0.04  -0.08  -0.26     0.09   0.19   0.63
    11   1     0.00   0.01   0.00    -0.02   0.25   0.02     0.03  -0.50  -0.04
    12   1    -0.07   0.02  -0.03     0.14  -0.04   0.05    -0.27   0.08  -0.10
    13   1     0.02   0.10   0.26    -0.02  -0.07  -0.18    -0.01  -0.05  -0.12
    14   6    -0.01  -0.01  -0.02    -0.01  -0.01  -0.04    -0.01  -0.01  -0.02
    15   1    -0.47  -0.23   0.48     0.21   0.10  -0.21     0.05   0.02  -0.05
    16   1     0.01  -0.11  -0.01    -0.01   0.06   0.01    -0.00  -0.00  -0.00
    17   1     0.04   0.11   0.36    -0.03  -0.07  -0.23    -0.00  -0.01  -0.03
    18   1    -0.12  -0.05   0.12    -0.34  -0.13   0.35    -0.13  -0.05   0.13
    19   1     0.30  -0.10   0.10     0.41  -0.13   0.13     0.26  -0.09   0.08
    20   1    -0.00   0.30  -0.03     0.00   0.39  -0.04    -0.00   0.23  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3058.8450              3072.3535              3094.3196
 Red. masses --      1.0924                 1.1031                 1.1012
 Frc consts  --      6.0222                 6.1351                 6.2125
 IR Inten    --     46.5471                46.5897                15.0190
 RamAct Fr= 1--    175.6083                81.8083                56.8661
  Dep-P Fr= 1--      0.1981                 0.5000                 0.6699
  Dep-U Fr= 1--      0.3307                 0.6666                 0.8023
 Alpha2 Fr= 1--      2.3970                 0.4040                 0.0808
 Beta2  Fr= 1--      9.6775                 9.0894                 7.6041
 AlphaG Fr= 1--     -1.2691                -0.7106                 0.2415
 Gamma2 Fr= 1--     10.9287               -32.8336                -9.1475
 Delta2 Fr= 1--     10.1286               -15.1687                -6.7932
 Raman1 Fr= 1--     702.433                327.233                227.464
 ROA1   Fr= 1--    1373.268              -3637.428              -1095.538
 CID1   Fr= 1--       1.955                -11.116                 -4.816
 Raman2 Fr= 1--     116.130                109.073                 91.249
 ROA2   Fr= 1--     181.260               -666.658               -165.194
 CID2   Fr= 1--       1.561                 -6.112                 -1.810
 Raman3 Fr= 1--     232.260                218.147                182.498
 ROA3   Fr= 1--    1373.268              -3637.428              -1095.538
 CID3   Fr= 1--       5.913                -16.674                 -6.003
 RC180  Fr= 1--      -0.339                  0.333                  0.605
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.01  -0.01  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.03  -0.01    -0.00  -0.07  -0.05     0.00  -0.00  -0.00
     4   6    -0.07   0.01  -0.05    -0.01  -0.00  -0.02     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.03   0.01
     7   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   1     0.02   0.01  -0.02     0.08   0.04  -0.08    -0.02  -0.01   0.02
     9   1    -0.00  -0.01  -0.02     0.02   0.04   0.10     0.00   0.00   0.00
    10   1     0.02   0.04   0.12     0.08   0.15   0.57     0.00   0.00   0.01
    11   1     0.02  -0.39  -0.02    -0.05   0.72   0.02    -0.00   0.01  -0.00
    12   1     0.76  -0.23   0.28     0.14  -0.04   0.05    -0.04   0.02  -0.02
    13   1     0.02   0.12   0.30     0.02   0.08   0.21    -0.00  -0.01  -0.01
    14   6     0.00  -0.00  -0.00    -0.01  -0.01   0.00     0.05  -0.06   0.01
    15   1     0.03   0.02  -0.03     0.01   0.00  -0.01    -0.01  -0.00   0.01
    16   1     0.00  -0.02  -0.00     0.00  -0.02  -0.00     0.04  -0.38  -0.02
    17   1    -0.00  -0.00  -0.01     0.00   0.00   0.01    -0.01  -0.03  -0.11
    18   1    -0.04  -0.02   0.04     0.05   0.02  -0.06    -0.06  -0.04   0.08
    19   1     0.01  -0.00   0.00     0.06  -0.02   0.02    -0.60   0.18  -0.20
    20   1     0.00   0.06  -0.01    -0.00   0.08  -0.01     0.01   0.62  -0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3095.9944              3098.6575              3103.3695
 Red. masses --      1.1004                 1.0964                 1.0947
 Frc consts  --      6.2146                 6.2027                 6.2115
 IR Inten    --     23.2835                38.9040                19.9042
 RamAct Fr= 1--     22.2811               139.4544               118.9538
  Dep-P Fr= 1--      0.5161                 0.5339                 0.3148
  Dep-U Fr= 1--      0.6808                 0.6962                 0.4788
 Alpha2 Fr= 1--      0.1019                 0.5820                 1.1668
 Beta2  Fr= 1--      2.5283                16.1806                 9.4925
 AlphaG Fr= 1--      0.0210                 0.1832                -0.2186
 Gamma2 Fr= 1--     16.7233                -4.2007                 6.9606
 Delta2 Fr= 1--     11.9569                 1.3271                 3.9126
 Raman1 Fr= 1--      89.124                557.817                475.815
 ROA1   Fr= 1--    1988.053               -360.798                793.420
 CID1   Fr= 1--      22.306                 -0.647                  1.667
 Raman2 Fr= 1--      30.339                194.167                113.910
 ROA2   Fr= 1--     305.704               -111.433                135.754
 CID2   Fr= 1--      10.076                 -0.574                  1.192
 Raman3 Fr= 1--      60.678                388.334                227.820
 ROA3   Fr= 1--    1988.053               -360.798                793.420
 CID3   Fr= 1--      32.764                 -0.929                  3.483
 RC180  Fr= 1--       0.362                  0.392                 -0.042
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.01  -0.00   0.01    -0.01  -0.00   0.01    -0.05  -0.02   0.07
     3   6    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.01
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.01   0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.03  -0.01     0.00  -0.07  -0.02    -0.00   0.01   0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   1     0.08   0.04  -0.08     0.07   0.03  -0.06     0.67   0.30  -0.60
     9   1    -0.00  -0.00  -0.01    -0.01  -0.01  -0.02    -0.05  -0.10  -0.22
    10   1     0.02   0.03   0.11    -0.01  -0.01  -0.04    -0.02  -0.03  -0.12
    11   1    -0.00   0.06   0.00     0.00  -0.02  -0.00    -0.00  -0.01   0.00
    12   1    -0.02   0.01  -0.01     0.00  -0.00   0.00    -0.02   0.00  -0.01
    13   1     0.00   0.01   0.02    -0.00  -0.00  -0.01    -0.00  -0.01  -0.02
    14   6     0.07   0.03  -0.04     0.00  -0.04   0.02    -0.01  -0.00   0.00
    15   1    -0.09  -0.04   0.10     0.04   0.02  -0.04     0.00   0.00  -0.00
    16   1    -0.03   0.27   0.01    -0.09   0.81   0.03     0.01  -0.13  -0.00
    17   1     0.01   0.02   0.09     0.03   0.06   0.23    -0.00  -0.01  -0.04
    18   1    -0.51  -0.19   0.54     0.14   0.04  -0.15     0.04   0.02  -0.04
    19   1    -0.34   0.12  -0.13    -0.15   0.04  -0.04     0.03  -0.01   0.01
    20   1     0.02  -0.35   0.02     0.00   0.42  -0.03    -0.00   0.01  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   112.08882 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   657.85592 905.368791227.62861
           X            0.99548   0.09292   0.01983
           Y           -0.09289   0.99567  -0.00240
           Z           -0.01997   0.00054   0.99980
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.13166     0.09567     0.07055
 Rotational constants (GHZ):           2.74337     1.99338     1.47010
 Zero-point vibrational energy     469607.0 (Joules/Mol)
                                  112.23877 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    124.26   181.56   307.70   379.20   496.59
          (Kelvin)            524.43   617.60   669.38   713.47   803.68
                              976.89  1079.43  1136.59  1191.59  1267.48
                             1298.73  1378.84  1405.85  1413.54  1495.03
                             1534.73  1550.87  1622.34  1652.07  1725.74
                             1794.11  1798.28  1840.80  1884.23  1930.16
                             1957.49  1976.86  1989.39  2008.83  2045.09
                             2109.76  2121.83  2141.88  2156.30  2164.47
                             2177.04  2569.73  4329.39  4331.67  4341.07
                             4359.21  4363.98  4371.08  4401.00  4420.43
                             4452.04  4454.45  4458.28  4465.06
 
 Zero-point correction=                           0.178864 (Hartree/Particle)
 Thermal correction to Energy=                    0.186687
 Thermal correction to Enthalpy=                  0.187632
 Thermal correction to Gibbs Free Energy=         0.146815
 Sum of electronic and zero-point Energies=           -349.193398
 Sum of electronic and thermal Energies=              -349.185575
 Sum of electronic and thermal Enthalpies=            -349.184631
 Sum of electronic and thermal Free Energies=         -349.225447
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  117.148             30.256             85.906
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.058
 Rotational               0.889              2.981             28.082
 Vibrational            115.371             24.294             17.765
 Vibration     1          0.601              1.959              3.741
 Vibration     2          0.611              1.927              3.003
 Vibration     3          0.644              1.820              2.010
 Vibration     4          0.670              1.740              1.638
 Vibration     5          0.724              1.585              1.188
 Vibration     6          0.738              1.545              1.103
 Vibration     7          0.791              1.407              0.861
 Vibration     8          0.823              1.327              0.751
 Vibration     9          0.851              1.259              0.668
 Vibration    10          0.914              1.121              0.527
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.295050D-67        -67.530104       -155.493811
 Total V=0       0.551433D+15         14.741493         33.943541
 Vib (Bot)       0.206653D-80        -80.684759       -185.783522
 Vib (Bot)    1  0.238222D+01          0.376982          0.868033
 Vib (Bot)    2  0.161703D+01          0.208717          0.480588
 Vib (Bot)    3  0.927272D+00         -0.032793         -0.075509
 Vib (Bot)    4  0.735655D+00         -0.133326         -0.306994
 Vib (Bot)    5  0.536231D+00         -0.270648         -0.623190
 Vib (Bot)    6  0.501346D+00         -0.299863         -0.690459
 Vib (Bot)    7  0.406145D+00         -0.391319         -0.901045
 Vib (Bot)    8  0.364004D+00         -0.438894         -1.010591
 Vib (Bot)    9  0.332639D+00         -0.478026         -1.100696
 Vib (Bot)   10  0.278623D+00         -0.554983         -1.277895
 Vib (V=0)       0.386223D+02          1.586838          3.653830
 Vib (V=0)    1  0.293413D+01          0.467479          1.076410
 Vib (V=0)    2  0.219256D+01          0.340952          0.785071
 Vib (V=0)    3  0.155349D+01          0.191307          0.440501
 Vib (V=0)    4  0.138949D+01          0.142855          0.328935
 Vib (V=0)    5  0.123317D+01          0.091024          0.209591
 Vib (V=0)    6  0.120806D+01          0.082088          0.189015
 Vib (V=0)    7  0.114417D+01          0.058490          0.134679
 Vib (V=0)    8  0.111846D+01          0.048622          0.111957
 Vib (V=0)    9  0.110054D+01          0.041606          0.095801
 Vib (V=0)   10  0.107239D+01          0.030353          0.069890
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.466442D+08          7.668797         17.658058
 Rotational      0.306096D+06          5.485857         12.631653
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000013700   -0.000002233   -0.000003183
      2        6          -0.000004999    0.000039617   -0.000010300
      3        6          -0.000001861    0.000000296    0.000002682
      4        6           0.000011671   -0.000011962   -0.000004619
      5        6           0.000015039    0.000009010    0.000021512
      6        6          -0.000007476   -0.000006649   -0.000003266
      7        8          -0.000001107    0.000002105   -0.000006063
      8        1           0.000001493   -0.000004377    0.000000119
      9        1          -0.000001746   -0.000003527    0.000002594
     10        1           0.000000288    0.000004125    0.000002689
     11        1           0.000002883    0.000000809    0.000000402
     12        1           0.000004840    0.000001077    0.000001270
     13        1           0.000003678   -0.000002355    0.000001251
     14        6          -0.000000668   -0.000012361   -0.000001929
     15        1          -0.000003634    0.000003384   -0.000001910
     16        1          -0.000001401   -0.000001529    0.000004060
     17        1          -0.000000503   -0.000002970   -0.000001054
     18        1           0.000002630   -0.000010571    0.000003519
     19        1          -0.000001918   -0.000002124   -0.000007950
     20        1          -0.000003510    0.000000236    0.000000177
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000039617 RMS     0.000007845
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.923799D+02 -0.146042D+01 -0.232604D+01
      2  -0.146042D+01  0.900028D+02  0.432789D+00
      3  -0.232604D+01  0.432789D+00  0.783868D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.991335D+00  0.370623D+01 -0.375384D+01
      2  -0.123209D+02  0.888273D-01 -0.177044D+02
      3   0.113126D+02  0.127599D+02  0.106803D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.306137D+02 -0.199127D+02 -0.266458D+02
      2   0.176461D+02  0.213935D+02  0.118747D+01
      3   0.129676D+02 -0.148073D+01  0.254584D+02
      4  -0.222895D+01 -0.244297D+02 -0.122564D+01
      5  -0.232940D+02 -0.120113D+01 -0.363811D+02
      6   0.978215D+00 -0.280644D+01  0.933963D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.297150D+01  0.479347D+01  0.691297D+00  0.425252D+01 -0.160578D+01
      2   0.479347D+01  0.633620D+00 -0.257672D+01 -0.160578D+01 -0.360354D+01
      3   0.691297D+00 -0.257672D+01  0.102472D+01 -0.202266D+01  0.173299D+01
                 6             7             8             9            10 
      1  -0.202266D+01  0.117862D+01 -0.268569D+01  0.112545D+00  0.184430D+00
      2   0.173299D+01 -0.268569D+01  0.489962D+00  0.214340D+01 -0.407708D+01
      3   0.151167D+01  0.112545D+00  0.214340D+01  0.932696D+00  0.269956D+01
                11            12            13            14            15 
      1  -0.407708D+01  0.269956D+01 -0.373689D+01  0.521809D+00  0.632678D+00
      2  -0.761587D+00  0.621165D+00  0.521809D+00  0.337889D+01 -0.159067D+01
      3   0.621165D+00 -0.282527D+01  0.632678D+00 -0.159067D+01 -0.247661D+01
                16            17            18            19            20 
      1   0.427098D+01  0.493527D+00 -0.342461D+01 -0.306366D+01  0.335965D+01
      2   0.493527D+00 -0.149209D+01 -0.368185D+01  0.335965D+01 -0.130042D+00
      3  -0.342461D+01 -0.368185D+01 -0.338884D+01 -0.193736D+01 -0.180121D+00
                21            22            23            24            25 
      1  -0.193736D+01  0.238333D+01  0.883592D+00 -0.682447D-01 -0.236216D+01
      2  -0.180121D+00  0.883592D+00 -0.878074D+01  0.584988D+00  0.257871D-01
      3   0.185160D+01 -0.682447D-01  0.584988D+00  0.220351D+01  0.194729D+01
                26            27            28            29            30 
      1   0.257871D-01  0.194729D+01  0.632973D+01 -0.382003D+01  0.301238D+01
      2  -0.651863D+00  0.216567D+01 -0.382003D+01  0.927127D-01 -0.868007D-01
      3   0.216567D+01  0.636610D+01  0.301238D+01 -0.868007D-01 -0.101465D+01
                31            32            33            34            35 
      1  -0.353718D+01 -0.170725D+00  0.733467D-01  0.429366D+01 -0.282433D+00
      2  -0.170725D+00  0.461660D+01 -0.408294D+00 -0.282433D+00 -0.804036D+00
      3   0.733467D-01 -0.408294D+00 -0.293216D+01 -0.604216D+00 -0.396621D+01
                36            37            38            39            40 
      1  -0.604216D+00 -0.391986D+01  0.327704D+01 -0.407332D+01  0.419068D+01
      2  -0.396621D+01  0.327704D+01  0.120448D+01 -0.484533D-01  0.875241D+00
      3  -0.616229D+01 -0.407332D+01 -0.484533D-01  0.296785D+01 -0.112523D+00
                41            42            43            44            45 
      1   0.875241D+00 -0.112523D+00 -0.488218D+01 -0.183224D+00  0.373569D+01
      2  -0.529306D+01 -0.190449D-02 -0.183224D+00  0.359522D+00  0.407713D+01
      3  -0.190449D-02  0.351901D+01  0.373569D+01  0.407713D+01  0.134940D+01
                46            47            48            49            50 
      1   0.429176D+01 -0.308012D+01  0.192685D+01 -0.211380D+01 -0.182466D+01
      2  -0.308012D+01 -0.197448D+01  0.750135D+00 -0.182466D+01  0.761774D+01
      3   0.192685D+01  0.750135D+00 -0.154730D+01  0.273077D+00 -0.322307D+00
                51            52            53            54            55 
      1   0.273077D+00  0.151746D+01  0.283031D+00 -0.951611D+00  0.108702D+02
      2  -0.322307D+00  0.283031D+00  0.936598D+00 -0.251829D+01 -0.492582D+01
      3  -0.305399D+01 -0.951611D+00 -0.251829D+01 -0.573040D+01 -0.261135D+01
                56            57            58            59            60 
      1  -0.492582D+01 -0.261135D+01 -0.469632D+01  0.448528D+01  0.148621D+01
      2   0.231318D+01  0.141942D+01  0.448528D+01 -0.392642D+01 -0.208552D+01
      3   0.141942D+01  0.113295D+01  0.148621D+01 -0.208552D+01 -0.142882D+01
                61            62            63            64            65 
      1  -0.332190D+01  0.205886D+01  0.329996D+01  0.585581D+01  0.259072D+01
      2   0.205886D+01 -0.146511D+01 -0.275228D+01  0.259072D+01  0.214334D+01
      3   0.329996D+01 -0.275228D+01 -0.317807D+01 -0.247768D+01 -0.101779D+01
                66            67            68            69            70 
      1  -0.247768D+01  0.187492D+01  0.174408D+01 -0.587226D+00 -0.357576D+01
      2  -0.101779D+01  0.174408D+01  0.148330D+01 -0.954342D+00 -0.138039D+01
      3   0.188182D+01 -0.587226D+00 -0.954342D+00  0.101771D+01  0.255941D+01
                71            72            73            74            75 
      1  -0.138039D+01  0.255941D+01  0.908062D+00  0.163995D+01  0.107847D+01
      2  -0.161631D+01  0.182251D+01  0.163995D+01  0.602170D+00  0.551101D+00
      3   0.182251D+01 -0.256651D+01  0.107847D+01  0.551101D+00  0.106805D+01
                76            77            78            79            80 
      1   0.144870D+01  0.751510D+00  0.574893D+00  0.172157D+01  0.830214D+00
      2   0.751510D+00  0.231741D+01  0.202786D+01  0.830214D+00  0.328036D+01
      3   0.574893D+00  0.202786D+01  0.202734D+01  0.209781D+01  0.283661D+01
                81            82            83            84            85 
      1   0.209781D+01 -0.345272D+00 -0.516406D+00 -0.963829D+00 -0.882541D+00
      2   0.283661D+01 -0.516406D+00 -0.252167D+00  0.343983D-01 -0.541428D+00
      3   0.578085D+01 -0.963829D+00  0.343983D-01 -0.865727D+00 -0.249518D+00
                86            87            88            89            90 
      1  -0.541428D+00 -0.249518D+00 -0.148232D+01 -0.127036D+00 -0.126020D+01
      2   0.148964D+00 -0.117018D+01 -0.127036D+00 -0.122931D+01  0.209472D+00
      3  -0.117018D+01 -0.118764D+01 -0.126020D+01  0.209472D+00 -0.810886D+01
                91            92            93            94            95 
      1  -0.124633D+00  0.131959D+01  0.173318D+00  0.144790D+01 -0.992043D+00
      2   0.131959D+01 -0.742170D+00  0.584333D-01 -0.992043D+00  0.127938D+02
      3   0.173318D+00  0.584333D-01 -0.348563D+00  0.901436D-01 -0.125707D+01
                96            97            98            99           100 
      1   0.901436D-01  0.458526D+00 -0.216841D-01 -0.404033D+00 -0.975664D+01
      2  -0.125707D+01 -0.216841D-01  0.104997D+00  0.122329D+01  0.298984D+01
      3   0.870245D+00 -0.404033D+00  0.122329D+01 -0.820894D+00 -0.124274D+01
               101           102           103           104           105 
      1   0.298984D+01 -0.124274D+01  0.228792D+01 -0.207715D+01  0.175012D+00
      2  -0.226749D+01  0.299924D+00 -0.207715D+01  0.121068D+01 -0.371769D+00
      3   0.299924D+00 -0.103536D+01  0.175012D+00 -0.371769D+00  0.692996D+00
               106           107           108           109           110 
      1  -0.250668D+01  0.732256D+00 -0.142597D+01 -0.515945D+00  0.101851D+01
      2   0.732256D+00 -0.888678D+00  0.104686D+01  0.101851D+01  0.261012D+00
      3  -0.142597D+01  0.104686D+01 -0.320382D+00  0.857978D+00  0.483068D-01
               111           112           113           114           115 
      1   0.857978D+00  0.894804D+00 -0.152615D+00 -0.340399D+00  0.103283D+01
      2   0.483068D-01 -0.152615D+00  0.172926D+01  0.213523D+01 -0.261952D+00
      3   0.377199D+00 -0.340399D+00  0.213523D+01  0.239314D+01 -0.856826D+00
               116           117           118           119           120 
      1  -0.261952D+00 -0.856826D+00  0.488797D+01 -0.216006D+01  0.419371D+01
      2   0.280158D+01  0.314291D+01 -0.216006D+01 -0.442340D+00 -0.430560D+00
      3   0.314291D+01  0.795841D+01  0.419371D+01 -0.430560D+00 -0.162453D+01
               121           122           123           124           125 
      1  -0.311789D+01  0.351870D+00 -0.929680D+00  0.366749D+01 -0.527317D+00
      2   0.351870D+00  0.771565D+01 -0.239302D+00 -0.527317D+00 -0.144288D+01
      3  -0.929680D+00 -0.239302D+00 -0.275518D+01 -0.249583D+01 -0.301053D+01
               126           127           128           129           130 
      1  -0.249583D+01 -0.526259D+01 -0.208275D+01  0.328460D+01 -0.201704D+01
      2  -0.301053D+01 -0.208275D+01 -0.168758D+01  0.863345D+00 -0.182446D+01
      3  -0.498664D+00  0.328460D+01  0.863345D+00 -0.301253D+01  0.864636D+00
               131           132           133           134           135 
      1  -0.182446D+01  0.864636D+00  0.356939D+01  0.103133D+01 -0.331847D+01
      2  -0.111838D+01  0.134992D+01  0.103133D+01  0.144083D+01 -0.190946D+01
      3   0.134992D+01 -0.171023D+01 -0.331847D+01 -0.190946D+01  0.428562D+01
               136           137           138           139           140 
      1   0.259245D+00 -0.114024D+01 -0.135006D+00 -0.141235D+01  0.102275D+01
      2  -0.114024D+01  0.111921D+01 -0.320361D+00  0.102275D+01 -0.971463D+01
      3  -0.135006D+00 -0.320361D+00  0.303408D+00 -0.349554D+00  0.148546D+01
               141           142           143           144           145 
      1  -0.349554D+00 -0.410851D+00 -0.298195D-01  0.287795D+00 -0.327053D+00
      2   0.148546D+01 -0.298195D-01 -0.222528D+00 -0.101631D+01  0.547670D+00
      3  -0.121980D+01  0.287795D+00 -0.101631D+01  0.920622D+00  0.118060D+01
               146           147           148           149           150 
      1   0.547670D+00  0.118060D+01  0.123447D+01  0.419864D+00  0.520874D-01
      2   0.253008D+00 -0.148654D+00  0.419864D+00 -0.702539D-01  0.123839D+01
      3  -0.148654D+00  0.109483D+01  0.520874D-01  0.123839D+01  0.181554D+01
               151           152           153           154           155 
      1   0.148835D+01  0.845217D-01  0.964160D+00  0.206462D+01  0.846545D+00
      2   0.845217D-01  0.118938D+01  0.373514D+00  0.846545D+00  0.121136D+01
      3   0.964160D+00  0.373514D+00  0.964678D+01 -0.176701D+01  0.123389D+00
               156           157           158           159           160 
      1  -0.176701D+01  0.943574D+00  0.726687D+00 -0.731153D-01 -0.211230D+01
      2   0.123389D+00  0.726687D+00  0.486379D-01 -0.588648D+00 -0.255825D+00
      3   0.265547D+01 -0.731153D-01 -0.588648D+00  0.937043D+00  0.149873D+01
               161           162           163           164           165 
      1  -0.255825D+00  0.149873D+01 -0.853122D+01  0.409892D+00 -0.338557D+01
      2  -0.941169D+00  0.295364D+00  0.409892D+00 -0.139578D+01 -0.173866D-01
      3   0.295364D+00 -0.466818D+01 -0.338557D+01 -0.173866D-01 -0.228154D+01
               166           167           168           169           170 
      1   0.189717D+01 -0.111610D+01  0.841486D+00 -0.239854D+01  0.169427D+00
      2  -0.111610D+01 -0.768536D-01 -0.419688D+00  0.169427D+00 -0.220781D+00
      3   0.841486D+00 -0.419688D+00  0.107896D+01 -0.186215D+01  0.349875D+00
               171           172           173           174           175 
      1  -0.186215D+01 -0.833427D+00 -0.990365D+00 -0.504878D+00 -0.134198D+01
      2   0.349875D+00 -0.990365D+00 -0.180442D+00  0.572245D-01 -0.147773D+01
      3  -0.179347D+01 -0.504878D+00  0.572245D-01  0.197582D+00 -0.330650D+00
               176           177           178           179           180 
      1  -0.147773D+01 -0.330650D+00 -0.146179D+00  0.464113D-01  0.100531D+00
      2  -0.104771D+02 -0.114514D+01  0.464113D-01  0.371533D+00 -0.831666D+00
      3  -0.114514D+01 -0.130274D+01  0.100531D+00 -0.831666D+00 -0.392499D-02
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.878255D+01  0.107828D+02 -0.266955D+01  0.970410D+01 -0.463654D+00
      2  -0.939036D+01 -0.114072D+02 -0.825896D-01 -0.872565D+01  0.149530D+01
      3  -0.688169D+01 -0.107853D+02  0.401141D+01  0.979817D+00  0.114658D+00
                 6             7             8             9            10 
      1   0.749479D+01 -0.267638D+00  0.171523D+02 -0.583062D+01 -0.789443D+01
      2  -0.139922D+01 -0.114170D+02 -0.355906D+01  0.125386D+02  0.916332D+01
      3  -0.840342D+01  0.718295D+00 -0.111178D+02  0.235909D+01  0.132433D+02
                11            12            13            14            15 
      1  -0.371216D+00  0.326935D+01 -0.326763D+01  0.123151D+01 -0.121436D+01
      2   0.159336D+01 -0.272081D+01  0.248932D+01 -0.269357D+01 -0.262618D+01
      3  -0.790713D+01  0.315779D+01 -0.443088D+00 -0.572815D+01  0.477574D+01
                16            17            18            19            20 
      1   0.327946D+01  0.932320D+01  0.756255D+01  0.558408D+01 -0.182203D+01
      2  -0.860169D+01 -0.443997D+01 -0.664329D+01 -0.136636D+01  0.183191D+01
      3   0.496888D+01  0.284993D+01 -0.916214D+00 -0.827509D+01  0.899302D+01
                21            22            23            24            25 
      1  -0.267413D+01  0.164361D+01  0.217952D+01 -0.735408D+01 -0.299049D+01
      2   0.215366D+00 -0.444150D+00  0.397807D+01 -0.106471D+01 -0.578125D+01
      3  -0.570412D+01  0.100321D+02  0.187223D+01 -0.192291D+01 -0.624942D+01
                26            27            28            29            30 
      1  -0.135174D+01 -0.137067D+02 -0.581421D+01  0.515618D+00  0.108376D+01
      2  -0.149288D+00  0.424574D+00 -0.106619D+02  0.149589D+01  0.270061D+01
      3  -0.139703D+01  0.380756D+01  0.619638D+00 -0.911147D+01  0.396266D+01
                31            32            33            34            35 
      1   0.886820D+00  0.371588D+01  0.187458D+01  0.448506D+00  0.797751D+01
      2   0.166103D+01  0.825202D+00  0.504330D+01 -0.413696D+01  0.632386D+01
      3  -0.252788D+01  0.773105D+01 -0.976550D-01  0.515804D+01 -0.142707D+01
                36            37            38            39            40 
      1   0.570026D+01 -0.800283D+00  0.541826D+00  0.834953D+00  0.135288D+01
      2   0.896046D+01  0.138275D+02 -0.124295D+01  0.184836D+01 -0.640862D+01
      3  -0.634788D+01  0.833327D+01 -0.533029D+01  0.289236D+01 -0.831668D+00
                41            42            43            44            45 
      1  -0.340106D+01 -0.130082D+01 -0.156939D+01  0.677731D+01  0.267339D+01
      2  -0.193775D+01 -0.350670D+01 -0.187406D+01 -0.452361D+01 -0.272578D+01
      3  -0.106066D+02  0.146177D+01  0.531943D+01  0.118330D+01  0.283201D+01
                46            47            48            49            50 
      1  -0.420395D+00 -0.412334D+01 -0.278647D+01 -0.395908D+01  0.877940D+01
      2  -0.845117D+01  0.535419D+01  0.519562D+00  0.617496D+01  0.175725D+01
      3  -0.330625D+01  0.524026D+01 -0.281595D+01  0.114168D+02 -0.222448D+01
                51            52            53            54            55 
      1  -0.929941D+01  0.235446D+00 -0.213171D+01 -0.905265D+01 -0.512324D+01
      2   0.230925D+01 -0.938251D+01  0.108096D+01 -0.223298D+01 -0.240922D+01
      3   0.159296D+01 -0.396841D+01  0.141076D+01  0.134807D+01  0.213841D+01
                56            57            58            59            60 
      1  -0.489441D+01  0.387199D+01 -0.208997D+01 -0.376304D-01 -0.751347D+01
      2   0.499547D+01  0.856736D+01  0.433947D+01 -0.362693D+01 -0.283660D+01
      3  -0.671081D+01 -0.131263D+01  0.700633D+00  0.925923D+01  0.403588D+01
                61            62            63            64            65 
      1   0.788571D+00 -0.230167D+01  0.107169D+00  0.333827D+01  0.128290D+01
      2   0.452189D+01 -0.551392D+00 -0.104234D+02 -0.239870D+01 -0.229028D+01
      3   0.816875D+00  0.800066D+01  0.938361D+00  0.525446D+01 -0.252587D+01
                66            67            68            69            70 
      1  -0.342911D+01  0.149077D+01  0.127387D+01 -0.275514D+01 -0.391605D+01
      2   0.490420D+01 -0.756852D+00 -0.111488D+01  0.208579D+01  0.247702D+01
      3  -0.177365D+01  0.188654D+01  0.748626D+00  0.538785D-01 -0.369139D+01
                71            72            73            74            75 
      1  -0.680185D+00  0.393521D+01 -0.168325D+01 -0.110215D+01 -0.217874D+01
      2   0.259301D+01 -0.487452D+01  0.142651D+01  0.101009D+01  0.314483D+01
      3   0.141485D+01  0.622220D+00 -0.100302D+01  0.100683D+01  0.884000D+00
                76            77            78            79            80 
      1  -0.854577D+00 -0.151760D+01 -0.398191D+01 -0.327266D+01 -0.437418D+01
      2   0.520209D+00  0.236457D+01  0.301694D+01  0.129497D+01  0.580724D+01
      3   0.275116D+01 -0.215219D+01 -0.195922D+01  0.250398D+01 -0.207649D+01
                81            82            83            84            85 
      1  -0.103229D+02  0.219122D+01  0.102021D+01  0.210583D+01  0.150754D+01
      2   0.100644D+02 -0.825108D-01 -0.582562D+00  0.577437D+00 -0.163226D+01
      3   0.236198D-01 -0.728455D+00 -0.312607D+01 -0.175896D+01 -0.171080D+01
                86            87            88            89            90 
      1   0.377872D+01  0.325802D+01  0.271290D+01  0.443235D+01  0.165466D+02
      2  -0.826335D+00 -0.100645D+00 -0.369738D+01 -0.553655D+00  0.727798D+00
      3  -0.576781D+00 -0.360664D+00 -0.278072D+01 -0.889129D+00 -0.194556D+01
                91            92            93            94            95 
      1  -0.109966D+01  0.442766D+00  0.493464D+00 -0.412710D+00 -0.194242D+01
      2   0.414547D-01  0.433330D+00  0.120294D+01  0.191886D+01 -0.193240D+01
      3   0.150803D+00  0.952827D+00  0.892516D+00  0.717755D+01 -0.121987D+00
                96            97            98            99           100 
      1  -0.418667D+01  0.353410D+00 -0.104560D+01  0.171064D+01  0.341439D+01
      2  -0.293596D+00 -0.176289D+00 -0.693081D+00 -0.322146D+00  0.652017D+01
      3  -0.311704D+00  0.166147D+01 -0.570428D+00 -0.631889D+00 -0.824584D+01
               101           102           103           104           105 
      1  -0.121284D+01  0.226229D+01 -0.136820D+01  0.964911D+00 -0.212910D+01
      2  -0.220212D+01  0.529273D+01 -0.127006D+01  0.151629D+01 -0.198833D+01
      3  -0.383646D+01 -0.983049D+00  0.121122D+01 -0.236389D+00 -0.485742D+00
               106           107           108           109           110 
      1   0.217363D+01 -0.504292D+00  0.118160D+01  0.191012D-01  0.597610D+00
      2   0.250829D+01 -0.233936D+01  0.180919D+01 -0.830601D+00 -0.763707D+00
      3  -0.271649D+01 -0.170904D+01  0.180821D+00  0.121797D+01  0.107666D+01
               111           112           113           114           115 
      1  -0.773674D+00  0.260704D+00 -0.462106D+00 -0.296984D+01  0.853316D+00
      2  -0.141992D+00 -0.796046D+00 -0.312059D+01 -0.343182D+01 -0.240345D+01
      3   0.878131D+00  0.285624D+01  0.205813D+01  0.274198D+01  0.186657D+01
               116           117           118           119           120 
      1   0.129186D+01 -0.841549D+01  0.959990D+01 -0.222323D+00 -0.278596D+01
      2  -0.447184D+01 -0.118750D+02 -0.292210D+01 -0.809631D+00  0.126033D+02
      3   0.424702D+01  0.345388D+01 -0.114516D+02  0.170386D+00 -0.767121D+01
               121           122           123           124           125 
      1  -0.299614D+01 -0.110768D+02 -0.757166D+01 -0.302051D+01 -0.183571D+01
      2  -0.977720D+00  0.936075D+00  0.442304D+01  0.775318D+01  0.517332D+01
      3   0.731281D+01  0.143318D+02  0.582804D+00 -0.668038D+01 -0.160035D+01
               126           127           128           129           130 
      1   0.384177D+01 -0.111543D+00 -0.206651D+01 -0.116468D+01 -0.144147D+01
      2  -0.212515D+01  0.488958D+00  0.305971D+00  0.322509D+01  0.148781D+01
      3  -0.219979D+01  0.101736D+01 -0.345638D+01 -0.137904D+01  0.623557D+00
               131           132           133           134           135 
      1  -0.738232D+00 -0.142596D+01  0.271584D+00  0.188778D+01  0.733786D+00
      2  -0.269655D+00  0.251520D+01 -0.166853D+01  0.190584D+01 -0.364875D+01
      3  -0.862509D+00  0.147362D+01 -0.286684D+01  0.257205D+01 -0.242915D+00
               136           137           138           139           140 
      1  -0.742608D+00  0.590313D+00  0.240143D+00  0.459084D+00 -0.103972D+02
      2  -0.839983D+00  0.985070D+00  0.142367D+01  0.197763D+01 -0.888391D+00
      3  -0.122276D+01 -0.816727D+00  0.781313D+00  0.511904D+01  0.187756D+01
               141           142           143           144           145 
      1  -0.259920D+01  0.651046D+00 -0.298303D+00 -0.328084D+00  0.138233D+01
      2  -0.279199D+00 -0.413427D+00 -0.225954D+00 -0.103532D+00  0.107532D+01
      3   0.238623D+00  0.759851D+00  0.745773D+00  0.923570D-01  0.781495D+00
               146           147           148           149           150 
      1   0.393422D+00  0.263931D+01 -0.365063D+00  0.153634D+01  0.416638D+01
      2  -0.571450D+00 -0.130530D+01 -0.167337D+01 -0.160851D+00 -0.576312D+00
      3  -0.185719D+01 -0.194652D+01 -0.754239D-01 -0.373627D+00 -0.115897D+01
               151           152           153           154           155 
      1   0.899751D+00  0.452682D+01  0.131220D+02 -0.472129D+01 -0.327805D+01
      2  -0.359220D+01  0.369588D+00 -0.335903D+00  0.825951D+01  0.180756D+01
      3  -0.125215D+01 -0.413521D+00 -0.269124D+01 -0.202997D+01 -0.705073D+00
               156           157           158           159           160 
      1   0.420524D+01 -0.205995D+01 -0.269462D+01  0.162622D+01  0.370752D+01
      2  -0.616074D+01  0.229656D+01  0.259745D+01 -0.179414D+01 -0.866983D+01
      3   0.262380D+01  0.630353D+00 -0.793707D+00 -0.829857D+00  0.249886D+01
               161           162           163           164           165 
      1   0.422204D+01 -0.726037D+01 -0.573323D+01  0.264171D+01 -0.288247D+01
      2  -0.160288D+01  0.961391D+01 -0.326117D+01  0.100306D+01  0.353228D+01
      3  -0.354936D+00 -0.205467D+01  0.116940D+02 -0.630153D+01  0.422356D+01
               166           167           168           169           170 
      1   0.202249D+01 -0.934865D+00  0.100752D+01 -0.258208D+01  0.211386D+01
      2   0.761368D+00 -0.164418D+00 -0.179628D+01 -0.155667D+01 -0.639350D+00
      3  -0.357515D+01  0.197702D+01 -0.146117D+01  0.378833D+01 -0.132852D+01
               171           172           173           174           175 
      1  -0.279267D+01 -0.167699D+00  0.283738D+00  0.338456D+00  0.645244D+00
      2   0.222290D+01  0.652851D+00 -0.728468D+00 -0.151623D+00 -0.942505D+00
      3   0.318565D+01 -0.576623D+00  0.166225D-01  0.819690D+00  0.265942D+01
               176           177           178           179           180 
      1   0.998846D+01 -0.432057D+01  0.514273D+00 -0.167998D+00  0.812437D+00
      2   0.126558D+01  0.230021D+01 -0.137733D+01  0.122793D+01  0.109558D+00
      3  -0.170262D+02 -0.112694D+01  0.145228D+00  0.459946D+00 -0.181347D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.207166D+02  0.138240D+02 -0.215434D+01  0.187181D+02 -0.756472D+01
      2   0.774185D+01 -0.506097D+01 -0.322276D+01 -0.132022D+02  0.728745D+00
      3   0.129747D+02 -0.876301D+01  0.537710D+01 -0.551590D+01  0.683598D+01
      4   0.239470D+02 -0.102141D+02 -0.838422D+01 -0.165351D+02 -0.106169D+01
      5   0.822194D+01 -0.595730D+01 -0.275606D+01 -0.798681D+01  0.544523D+01
      6  -0.430478D+01  0.771055D+01  0.195923D+01  0.795583D+00 -0.488040D+01
                 6             7             8             9            10 
      1  -0.811472D+01  0.125674D+02 -0.101285D+02 -0.210452D+01  0.107966D+00
      2   0.335324D+01 -0.609518D+01  0.244091D+01 -0.328802D+01 -0.325330D+01
      3   0.476148D+01 -0.647217D+01  0.768756D+01  0.539254D+01  0.314533D+01
      4   0.395140D+01 -0.126602D+02  0.991168D+01  0.100302D+02 -0.102087D+02
      5   0.685991D+01  0.220790D+01  0.553650D+01  0.122032D+02  0.105942D+02
      6  -0.780004D+01  0.339081D+01 -0.269097D+01  0.951405D+00  0.978650D+01
                11            12            13            14            15 
      1  -0.840504D+01  0.945895D+01 -0.723410D+01 -0.293951D+01  0.532408D+01
      2   0.486139D+01 -0.482326D+01  0.434689D+01  0.128105D+02 -0.333036D+01
      3   0.354365D+01 -0.463568D+01  0.288721D+01 -0.987095D+01 -0.199372D+01
      4  -0.105635D+02  0.846621D+01 -0.252894D+01  0.268595D+00 -0.306620D+01
      5   0.579173D+01 -0.109678D+02  0.396101D+01 -0.183675D+01 -0.886836D+01
      6  -0.154987D+01 -0.772552D+01  0.132922D+01 -0.213404D+01 -0.638588D+01
                16            17            18            19            20 
      1   0.889072D+01  0.905019D+01 -0.230699D+00 -0.556794D+01 -0.200398D+01
      2  -0.423469D+01 -0.521231D+01 -0.178258D+01  0.801414D+01  0.379036D+01
      3  -0.465603D+01 -0.383788D+01  0.201328D+01 -0.244619D+01 -0.178638D+01
      4   0.104311D+02 -0.584141D+01 -0.197975D+02 -0.569244D+01  0.856496D+00
      5  -0.131712D+02 -0.131688D+02 -0.769250D+01  0.200426D+01 -0.152570D+01
      6  -0.106692D+02 -0.147148D+02 -0.141671D+02 -0.799695D+01 -0.808721D-01
                21            22            23            24            25 
      1   0.232556D+01 -0.160374D+01  0.284758D+02  0.329836D+00  0.322893D+01
      2   0.217325D-01  0.502492D+01 -0.527439D+02  0.531493D+01  0.684790D+00
      3  -0.234729D+01 -0.342118D+01  0.242681D+02 -0.564476D+01 -0.391372D+01
      4  -0.466670D+01  0.563601D+01  0.110417D+02 -0.134324D+01 -0.517037D+01
      5  -0.134746D+01 -0.217412D+00 -0.955365D+00 -0.962139D+00  0.658604D+00
      6   0.536326D+01 -0.186630D+01  0.856293D+01  0.788657D+01  0.459302D+01
                26            27            28            29            30 
      1   0.849645D+00  0.472303D+01 -0.246071D+02  0.149823D+02 -0.101685D+02
      2  -0.728816D+00  0.130094D+02  0.538507D+01 -0.815610D+01  0.666510D+01
      3  -0.120829D+00 -0.177324D+02  0.192220D+02 -0.682619D+01  0.350342D+01
      4   0.117782D+01  0.283071D+01  0.223246D+02 -0.760642D+01  0.615250D+01
      5  -0.724899D+00 -0.507125D+01 -0.984690D+01  0.466687D+00  0.375463D+01
      6   0.780557D+01  0.181044D+02  0.359005D+01  0.692934D+00 -0.289905D+01
                31            32            33            34            35 
      1   0.104234D+02 -0.281034D+01  0.594231D+01 -0.126888D+02  0.668725D+01
      2  -0.542894D+01  0.913343D+01  0.119278D+01  0.646814D+01  0.403440D+01
      3  -0.499448D+01 -0.632309D+01 -0.713508D+01  0.622070D+01 -0.107216D+02
      4  -0.922812D+01 -0.746715D+01  0.100978D+01  0.102380D+02  0.343524D+01
      5   0.149026D-01 -0.236348D+01  0.693433D+01  0.128197D+01  0.987024D+01
      6  -0.738493D+00 -0.266836D+01 -0.101315D+02  0.576358D+00 -0.103862D+02
                36            37            38            39            40 
      1   0.118858D+02  0.155154D+01 -0.916876D+01  0.147226D+02 -0.649324D+01
      2  -0.145382D+00  0.166629D+01  0.575612D+01 -0.103106D+02  0.440372D+01
      3  -0.117404D+02 -0.321783D+01  0.341265D+01 -0.441196D+01  0.208952D+01
      4   0.107627D+02 -0.749272D+01 -0.607996D+01  0.683478D+01 -0.763654D+01
      5   0.135716D+02  0.187802D+02  0.611729D+01 -0.150110D+02  0.279618D+01
      6  -0.212857D+02  0.997111D+01  0.449100D+00 -0.627714D+01  0.294997D+01
                41            42            43            44            45 
      1  -0.534009D+01 -0.943241D+00  0.118779D+02  0.230006D+01 -0.108310D+02
      2   0.749319D+01 -0.852587D+00 -0.940347D+01 -0.618873D+01  0.340555D+01
      3  -0.215310D+01  0.179583D+01 -0.247446D+01  0.388867D+01  0.742545D+01
      4   0.658650D+01  0.157128D+01  0.461828D+01 -0.259602D+01 -0.171813D+02
      5   0.414788D+01 -0.109064D+02 -0.167085D+02 -0.141144D+02  0.423943D+01
      6  -0.339703D-02 -0.716910D+01 -0.949913D+01 -0.631176D+01  0.203539D+01
                46            47            48            49            50 
      1  -0.425355D+00 -0.514927D+01  0.299471D+01 -0.162567D+01  0.145513D+02
      2  -0.767268D+00  0.676650D+01  0.381564D+01  0.349998D+01 -0.265794D+02
      3   0.119262D+01 -0.161723D+01 -0.681034D+01 -0.187432D+01  0.120281D+02
      4  -0.641551D+01  0.681604D+00 -0.938344D+00  0.340419D+01  0.836108D+01
      5  -0.362638D+01 -0.100687D+01  0.261630D+01 -0.115738D+01 -0.253898D+01
      6  -0.657206D+01 -0.442970D+01  0.290438D+01 -0.246400D+01  0.101141D+02
                51            52            53            54            55 
      1   0.626118D+01 -0.246335D+01  0.554716D+01  0.161210D+02  0.592874D+02
      2   0.774266D+01  0.228487D+01  0.187960D+01  0.142055D+02 -0.272601D+02
      3  -0.140038D+02  0.178484D+00 -0.742677D+01 -0.303265D+02 -0.320274D+02
      4  -0.295377D+00 -0.249807D+00 -0.233881D+00 -0.233046D+00 -0.357149D+02
      5   0.782872D+00  0.325964D+01 -0.760742D+00 -0.700421D+01 -0.133563D+02
      6   0.523082D+01  0.746575D+00  0.548317D+01  0.306819D+01  0.561215D+01
                56            57            58            59            60 
      1  -0.176836D+02 -0.819862D+01 -0.178473D+02  0.899129D+01  0.195179D+01
      2   0.507229D+01  0.678344D+01  0.463763D+01  0.482872D+01  0.269761D+00
      3   0.126113D+02  0.141517D+01  0.132097D+02 -0.138200D+02 -0.222155D+01
      4   0.251449D+02  0.781568D+01  0.308861D+02 -0.243351D+02 -0.827412D+01
      5   0.584427D+01  0.151762D+02  0.734579D+01 -0.708361D+01 -0.895795D+01
      6  -0.375542D+01 -0.589673D+01 -0.419150D+01  0.846934D+01  0.110050D+02
                61            62            63            64            65 
      1  -0.115330D+02  0.395923D+01  0.527827D+01  0.211884D+02  0.583255D+01
      2   0.902391D+01 -0.784370D+00 -0.829829D+01 -0.872811D+01  0.448686D+00
      3   0.250912D+01 -0.317486D+01  0.302003D+01 -0.124603D+02 -0.628123D+01
      4   0.122795D+02 -0.872630D+01 -0.131774D+02  0.237436D+02  0.158906D+02
      5   0.200828D+02 -0.117367D+02 -0.183444D+02 -0.138757D+02 -0.569563D+01
      6  -0.832277D+01  0.121256D+02  0.747630D+01 -0.783241D+01 -0.413772D+01
                66            67            68            69            70 
      1  -0.721780D+01  0.155804D+01  0.128058D+00  0.674271D+00 -0.831538D+01
      2   0.414697D+01  0.378773D+01  0.459346D+01 -0.268269D+01  0.518118D+01
      3   0.307082D+01 -0.534577D+01 -0.472152D+01  0.200842D+01  0.313419D+01
      4  -0.967731D+01  0.129258D+02  0.109138D+02 -0.554562D+01 -0.136831D+02
      5   0.110390D+02 -0.319968D+01 -0.475929D+01  0.395205D+01  0.134177D+02
      6   0.640563D+01 -0.400031D+01 -0.523474D+01  0.642566D+01  0.841611D+01
                71            72            73            74            75 
      1  -0.102702D+01  0.182515D+01  0.125403D+01  0.333348D+01  0.200141D+01
      2  -0.160995D+01 -0.364960D+01  0.518237D-01 -0.112215D+01 -0.199271D+01
      3   0.263697D+01  0.182445D+01 -0.130585D+01 -0.221134D+01 -0.870754D-02
      4  -0.923803D+01  0.115062D+02  0.762569D+01  0.786204D+01  0.559104D+01
      5   0.786734D+01 -0.122430D+02  0.557276D+01  0.304925D+01  0.786678D+01
      6   0.817170D+01 -0.830089D+01  0.450036D+01  0.291961D+01  0.402352D+01
                76            77            78            79            80 
      1   0.145056D+01 -0.623601D+01 -0.453749D+01  0.275266D+01 -0.686797D+01
      2   0.816614D+00  0.802886D+01  0.510291D+01 -0.240058D+01  0.632136D+01
      3  -0.226718D+01 -0.179285D+01 -0.565421D+00 -0.352085D+00  0.546613D+00
      4   0.712503D+01  0.934179D+01  0.769314D+01  0.812055D+01  0.131911D+02
      5   0.218436D+01  0.629045D+01  0.595570D+01  0.102621D+02  0.102469D+02
      6   0.362418D+01  0.103298D+02  0.116629D+02  0.789549D+01  0.155631D+02
                81            82            83            84            85 
      1  -0.702789D+01  0.151829D+01  0.527444D+00 -0.143786D+00  0.130359D+00
      2  -0.172884D+01 -0.502875D+01 -0.125466D+01 -0.121704D+01 -0.175923D+01
      3   0.875673D+01  0.351046D+01  0.727217D+00  0.136083D+01  0.162888D+01
      4   0.144918D+02 -0.670044D+00  0.190229D+01 -0.194234D+01 -0.327694D+00
      5   0.189207D+02  0.253437D+01  0.637508D+00  0.770948D+01  0.812129D+00
      6   0.225503D+02 -0.168815D+01  0.112276D+01 -0.274309D+01  0.594706D+00
                86            87            88            89            90 
      1  -0.335280D+01  0.259932D+00 -0.140840D+01  0.289533D+01 -0.167190D+02
      2   0.302884D+01 -0.514739D+01 -0.264743D+01 -0.418422D+01 -0.148924D+02
      3   0.323960D+00  0.488746D+01  0.405583D+01  0.128889D+01  0.316114D+02
      4  -0.565501D+00  0.116642D+01 -0.350336D+01  0.179221D+01 -0.183910D+01
      5   0.129662D+01  0.104917D+01  0.550153D+01  0.694768D-01  0.776923D+01
      6  -0.229191D+01  0.277502D+00 -0.318158D+01  0.576702D+01 -0.232881D+02
                91            92            93            94            95 
      1  -0.221808D+01  0.124984D+01 -0.398217D+00  0.259593D+01 -0.439706D+02
      2   0.696787D+01 -0.382163D+01  0.118880D+00 -0.517488D+01  0.785343D+02
      3  -0.474979D+01  0.257179D+01  0.279337D+00  0.257895D+01 -0.345638D+02
      4  -0.199066D+01  0.114865D+02 -0.528139D+00  0.929715D+01 -0.118086D+02
      5   0.584231D-01 -0.174713D+01  0.192088D+01 -0.139628D+01  0.224452D+01
      6  -0.185445D+00  0.578741D+00 -0.910390D+00  0.106246D+01 -0.139960D+02
                96            97            98            99           100 
      1   0.468037D+01 -0.239165D+00  0.428527D+00 -0.558624D+01  0.467288D+02
      2  -0.631843D+01 -0.464529D+00  0.104664D+01  0.532046D+01 -0.191887D+02
      3   0.163806D+01  0.703693D+00 -0.147517D+01  0.265774D+00 -0.275401D+02
      4   0.104811D+01  0.744818D+00 -0.142582D+00 -0.139334D+01 -0.324990D+02
      5  -0.775002D+00  0.115120D+01 -0.771226D+00  0.636296D+00  0.330605D+01
      6   0.870702D+01 -0.142426D+01  0.996953D+01 -0.307031D+01 -0.897134D+00
               101           102           103           104           105 
      1  -0.109514D+02  0.558026D+01 -0.669739D+01  0.545216D+01 -0.963138D+00
      2   0.943951D+00 -0.221356D+01 -0.172825D+01  0.173050D+01 -0.103654D+01
      3   0.100075D+02 -0.336670D+01  0.842564D+01 -0.718266D+01  0.199968D+01
      4   0.176787D+02 -0.383454D+01  0.169428D+02 -0.107911D+02  0.231693D+01
      5  -0.572506D+00  0.701147D+01 -0.615958D+00  0.160297D+01 -0.240655D+01
      6  -0.143876D+00 -0.275731D+01  0.304324D+00 -0.937720D+00  0.348329D+01
               106           107           108           109           110 
      1   0.934204D+01 -0.262471D+01  0.345668D+01  0.147476D+01 -0.399659D+01
      2  -0.386804D+01 -0.129988D+01 -0.251222D+01 -0.147533D+01  0.250488D+01
      3  -0.547401D+01  0.392459D+01 -0.944464D+00  0.570951D-03  0.149171D+01
      4  -0.862046D+01  0.467153D+01 -0.575332D+01 -0.357961D+01  0.304643D+01
      5   0.853469D+01 -0.396135D+01  0.319596D+01 -0.184292D+01  0.175466D+01
      6  -0.356465D+01  0.376444D+01 -0.494828D+00  0.298729D+01  0.572096D+00
               111           112           113           114           115 
      1  -0.254576D+01 -0.195532D+01 -0.749263D+01 -0.669157D+01 -0.137394D+01
      2   0.138245D+01  0.103100D+01  0.558964D+01  0.375587D+01  0.198739D+01
      3   0.116331D+01  0.924326D+00  0.190299D+01  0.293570D+01 -0.613447D+00
      4   0.242279D+01  0.455092D+01 -0.456940D+01 -0.604677D+01  0.403753D+01
      5   0.442727D+01  0.232397D+01 -0.503293D+01 -0.565380D+01  0.717996D+01
      6   0.180114D+01 -0.150351D+01  0.112294D+02  0.145244D+02 -0.332785D+01
               116           117           118           119           120 
      1  -0.829703D+01 -0.162462D+02 -0.242519D+02  0.854091D+01 -0.239433D+02
      2   0.223580D+01 -0.840130D+01  0.246022D+02 -0.458060D+01  0.725156D+01
      3   0.606124D+01  0.246475D+02 -0.350327D+00 -0.396032D+01  0.166918D+02
      4  -0.829904D+01 -0.105806D+02  0.733301D+00  0.532548D+01 -0.545266D+01
      5  -0.879481D+01 -0.207726D+02 -0.221724D+02  0.452555D+01 -0.428006D+01
      6   0.150353D+02  0.269149D+02 -0.301395D+01  0.235151D-01  0.571281D+01
               121           122           123           124           125 
      1   0.147035D+02  0.150354D+02  0.108395D+01 -0.215633D+02 -0.229609D+01
      2  -0.110669D+02 -0.350914D+02 -0.637620D+01  0.791451D+01 -0.117486D+01
      3  -0.363656D+01  0.200561D+02  0.529225D+01  0.136488D+02  0.347096D+01
      4   0.401994D+01 -0.233024D+02  0.169513D+01 -0.480485D+01  0.496559D+01
      5   0.805767D+01  0.140530D+01  0.773004D+01 -0.182918D+01  0.929698D+01
      6   0.279801D+00 -0.822562D+01  0.754233D+01  0.740758D+01  0.728090D+01
               126           127           128           129           130 
      1   0.360478D+01  0.209513D+02  0.612489D+01 -0.108132D+02  0.458036D+01
      2   0.460482D+01 -0.149040D+02 -0.368032D+01  0.992912D+01 -0.128122D+01
      3  -0.820960D+01 -0.604730D+01 -0.244457D+01  0.884071D+00 -0.329913D+01
      4   0.144582D+02  0.151050D+02  0.104773D+02 -0.814995D+01  0.115295D+02
      5   0.560944D+01 -0.223886D+02 -0.687172D+01  0.190426D+02 -0.638508D+01
      6   0.486401D+01 -0.804950D+01 -0.431569D+01  0.733117D+01 -0.533719D+01
               131           132           133           134           135 
      1   0.202018D+01 -0.927813D+00 -0.847394D+01 -0.121582D+01  0.442376D+01
      2   0.284417D+00  0.351433D+00  0.104522D+02  0.278780D+01 -0.124299D+02
      3  -0.230459D+01  0.576380D+00 -0.197825D+01 -0.157198D+01  0.800618D+01
      4   0.807854D+01 -0.684885D+01 -0.870655D+01 -0.629333D+01  0.987886D+01
      5  -0.759258D+01  0.741502D+01  0.204418D+02  0.875560D+01 -0.225292D+02
      6  -0.616118D+01  0.853899D+01  0.770409D+01  0.741018D+01 -0.106669D+02
               136           137           138           139           140 
      1  -0.146370D+00  0.157891D+01 -0.963670D+00  0.126111D+01 -0.262177D+02
      2   0.420607D+01 -0.361264D+01  0.392090D+00 -0.269959D+01  0.426328D+02
      3  -0.405970D+01  0.203373D+01  0.571581D+00  0.143847D+01 -0.164152D+02
      4  -0.228168D+01  0.959319D+01 -0.123471D+01  0.707446D+01 -0.710616D+01
      5   0.640005D+00 -0.313995D+01  0.208039D+01 -0.250893D+01  0.288873D+01
      6  -0.175777D+01  0.218103D+01 -0.119401D+01  0.256820D+01 -0.189727D+02
               141           142           143           144           145 
      1   0.524259D+01 -0.582775D+00  0.618169D+00 -0.498818D+01 -0.308372D+00
      2  -0.473310D+01 -0.377364D+00  0.174204D+01  0.214875D+01 -0.483783D+01
      3  -0.509487D+00  0.960138D+00 -0.236021D+01  0.283943D+01  0.514620D+01
      4   0.154814D+01  0.106465D+00 -0.932166D+00 -0.797195D+00  0.986927D+00
      5  -0.121242D+01  0.936138D+00 -0.449358D+00  0.698723D+00  0.301901D+01
      6   0.952078D+01 -0.903198D+00  0.706101D+01 -0.298264D+01 -0.377150D+00
               146           147           148           149           150 
      1   0.820114D+00 -0.177186D+01  0.142010D+01 -0.424280D+01 -0.437494D+01
      2  -0.361912D+00 -0.286991D+01 -0.927784D+00  0.915596D-01 -0.595025D+01
      3  -0.458203D+00  0.464178D+01 -0.492318D+00  0.415124D+01  0.103252D+02
      4   0.124313D+01 -0.177989D+01 -0.385788D+00  0.676549D-02  0.676464D+00
      5   0.560719D+00  0.900313D+01  0.171582D+01  0.107511D+01  0.194263D+01
      6   0.124049D+01 -0.188656D+01  0.840910D+00  0.249251D-01  0.380009D+01
               151           152           153           154           155 
      1   0.870606D-02  0.228926D+00 -0.271498D+02 -0.387339D+01 -0.763662D+00
      2  -0.280869D+01 -0.292604D+01 -0.223955D+02 -0.379238D+01 -0.123022D+01
      3   0.279998D+01  0.269711D+01  0.495453D+02  0.766577D+01  0.199388D+01
      4  -0.241231D+01  0.773578D+00 -0.157495D+01 -0.602082D+01 -0.251310D+01
      5   0.656165D+01  0.266120D+00  0.906185D+01 -0.205469D+01 -0.169747D+01
      6  -0.123004D+01  0.572371D+01 -0.123681D+02  0.190703D+01 -0.320110D+01
               156           157           158           159           160 
      1   0.111297D+02 -0.302647D+01 -0.482886D+01  0.902439D+00  0.992954D+01
      2   0.182031D+01  0.117500D+01  0.411482D+01  0.305979D+01  0.978155D+00
      3  -0.129500D+02  0.185148D+01  0.714034D+00 -0.396223D+01 -0.109077D+02
      4   0.375908D+01 -0.143825D+01  0.227470D+00  0.106759D+01  0.559300D+01
      5   0.858274D+00 -0.200809D+01 -0.430363D+00 -0.214067D+01  0.441955D+01
      6  -0.582973D+01 -0.160699D+01  0.387973D+00  0.126993D+01 -0.232708D+01
               161           162           163           164           165 
      1   0.538697D+00 -0.152362D+02  0.488756D+02 -0.424243D+01  0.143207D+02
      2   0.240438D+01 -0.898302D+01 -0.323577D+02  0.483240D+01 -0.130158D+02
      3  -0.294307D+01  0.242193D+02 -0.165179D+02 -0.589965D+00 -0.130493D+01
      4   0.225179D+01 -0.483242D+01  0.118885D+02  0.774819D+01  0.502577D+01
      5   0.149244D-01  0.378420D+01  0.293850D+02 -0.114444D+01  0.184744D+02
      6   0.358649D+01  0.805230D+01  0.287273D+01  0.398069D+01  0.307064D+01
               166           167           168           169           170 
      1  -0.108968D+02  0.396335D+01 -0.298854D+01  0.107452D+02 -0.149136D+00
      2   0.861351D+01 -0.272316D+00  0.417519D+01 -0.106967D+02  0.129562D+01
      3   0.228331D+01 -0.369104D+01 -0.118665D+01 -0.485227D-01 -0.114649D+01
      4   0.470619D+01  0.124305D+00  0.156219D+01  0.390372D+01  0.143885D+01
      5  -0.668167D+01  0.338846D+01 -0.536596D+01  0.165273D+02 -0.179827D+01
      6   0.231945D+01 -0.440336D+00  0.618906D+00  0.200800D+01  0.166241D+01
               171           172           173           174           175 
      1   0.653752D+01  0.235006D+01  0.360316D+01  0.268385D+01  0.151226D+01
      2  -0.104112D+02  0.137160D+01 -0.112176D+01 -0.111097D+01  0.398478D+01
      3   0.387366D+01 -0.372166D+01 -0.248140D+01 -0.157287D+01 -0.549703D+01
      4   0.104492D+01  0.475114D+01  0.804312D+01  0.953738D+00  0.123624D+02
      5   0.121433D+02  0.272172D+01  0.104384D+01  0.176840D+01  0.294544D+01
      6   0.196510D+01  0.144810D+01  0.142727D+00 -0.452242D+00  0.271345D+01
               176           177           178           179           180 
      1  -0.236234D+02 -0.339981D+01  0.849698D+00 -0.785456D+00 -0.399409D+01
      2   0.510670D+02  0.268604D+01 -0.427745D+00 -0.236789D+01  0.396590D+01
      3  -0.274436D+02  0.713769D+00 -0.421952D+00  0.315334D+01  0.281928D-01
      4   0.345962D+02  0.378757D+01 -0.261937D+00 -0.130664D+01  0.215661D+01
      5   0.280809D+01  0.462755D+01  0.166441D+01  0.289601D+01 -0.502754D+00
      6   0.172606D+02  0.937904D+01  0.251308D+00  0.769640D+01  0.107511D+01
 Leave Link  716 at Thu Jul  8 20:23:26 2021, MaxMem= 10737418240 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.923799D+02 -0.146042D+01 -0.232604D+01
      2  -0.146042D+01  0.900028D+02  0.432789D+00
      3  -0.232604D+01  0.432789D+00  0.783868D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.991335D+00  0.370623D+01 -0.375384D+01
      2  -0.123209D+02  0.888273D-01 -0.177044D+02
      3   0.113126D+02  0.127599D+02  0.106803D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.306137D+02 -0.199127D+02 -0.266458D+02
      2   0.176461D+02  0.213935D+02  0.118747D+01
      3   0.129676D+02 -0.148073D+01  0.254584D+02
      4  -0.222895D+01 -0.244297D+02 -0.122564D+01
      5  -0.232940D+02 -0.120113D+01 -0.363811D+02
      6   0.978215D+00 -0.280644D+01  0.933963D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.297150D+01  0.479347D+01  0.691297D+00  0.425252D+01 -0.160578D+01
      2   0.479347D+01  0.633620D+00 -0.257672D+01 -0.160578D+01 -0.360354D+01
      3   0.691297D+00 -0.257672D+01  0.102472D+01 -0.202266D+01  0.173299D+01
                 6             7             8             9            10 
      1  -0.202266D+01  0.117862D+01 -0.268569D+01  0.112545D+00  0.184430D+00
      2   0.173299D+01 -0.268569D+01  0.489962D+00  0.214340D+01 -0.407708D+01
      3   0.151167D+01  0.112545D+00  0.214340D+01  0.932696D+00  0.269956D+01
                11            12            13            14            15 
      1  -0.407708D+01  0.269956D+01 -0.373689D+01  0.521809D+00  0.632678D+00
      2  -0.761587D+00  0.621165D+00  0.521809D+00  0.337889D+01 -0.159067D+01
      3   0.621165D+00 -0.282527D+01  0.632678D+00 -0.159067D+01 -0.247661D+01
                16            17            18            19            20 
      1   0.427098D+01  0.493527D+00 -0.342461D+01 -0.306366D+01  0.335965D+01
      2   0.493527D+00 -0.149209D+01 -0.368185D+01  0.335965D+01 -0.130042D+00
      3  -0.342461D+01 -0.368185D+01 -0.338884D+01 -0.193736D+01 -0.180121D+00
                21            22            23            24            25 
      1  -0.193736D+01  0.238333D+01  0.883592D+00 -0.682447D-01 -0.236216D+01
      2  -0.180121D+00  0.883592D+00 -0.878074D+01  0.584988D+00  0.257871D-01
      3   0.185160D+01 -0.682447D-01  0.584988D+00  0.220351D+01  0.194729D+01
                26            27            28            29            30 
      1   0.257871D-01  0.194729D+01  0.632973D+01 -0.382003D+01  0.301238D+01
      2  -0.651863D+00  0.216567D+01 -0.382003D+01  0.927127D-01 -0.868007D-01
      3   0.216567D+01  0.636610D+01  0.301238D+01 -0.868007D-01 -0.101465D+01
                31            32            33            34            35 
      1  -0.353718D+01 -0.170725D+00  0.733467D-01  0.429366D+01 -0.282433D+00
      2  -0.170725D+00  0.461660D+01 -0.408294D+00 -0.282433D+00 -0.804036D+00
      3   0.733467D-01 -0.408294D+00 -0.293216D+01 -0.604216D+00 -0.396621D+01
                36            37            38            39            40 
      1  -0.604216D+00 -0.391986D+01  0.327704D+01 -0.407332D+01  0.419068D+01
      2  -0.396621D+01  0.327704D+01  0.120448D+01 -0.484533D-01  0.875241D+00
      3  -0.616229D+01 -0.407332D+01 -0.484533D-01  0.296785D+01 -0.112523D+00
                41            42            43            44            45 
      1   0.875241D+00 -0.112523D+00 -0.488218D+01 -0.183224D+00  0.373569D+01
      2  -0.529306D+01 -0.190449D-02 -0.183224D+00  0.359522D+00  0.407713D+01
      3  -0.190449D-02  0.351901D+01  0.373569D+01  0.407713D+01  0.134940D+01
                46            47            48            49            50 
      1   0.429176D+01 -0.308012D+01  0.192685D+01 -0.211380D+01 -0.182466D+01
      2  -0.308012D+01 -0.197448D+01  0.750135D+00 -0.182466D+01  0.761774D+01
      3   0.192685D+01  0.750135D+00 -0.154730D+01  0.273077D+00 -0.322307D+00
                51            52            53            54            55 
      1   0.273077D+00  0.151746D+01  0.283031D+00 -0.951611D+00  0.108702D+02
      2  -0.322307D+00  0.283031D+00  0.936598D+00 -0.251829D+01 -0.492582D+01
      3  -0.305399D+01 -0.951611D+00 -0.251829D+01 -0.573040D+01 -0.261135D+01
                56            57            58            59            60 
      1  -0.492582D+01 -0.261135D+01 -0.469632D+01  0.448528D+01  0.148621D+01
      2   0.231318D+01  0.141942D+01  0.448528D+01 -0.392642D+01 -0.208552D+01
      3   0.141942D+01  0.113295D+01  0.148621D+01 -0.208552D+01 -0.142882D+01
                61            62            63            64            65 
      1  -0.332190D+01  0.205886D+01  0.329996D+01  0.585581D+01  0.259072D+01
      2   0.205886D+01 -0.146511D+01 -0.275228D+01  0.259072D+01  0.214334D+01
      3   0.329996D+01 -0.275228D+01 -0.317807D+01 -0.247768D+01 -0.101779D+01
                66            67            68            69            70 
      1  -0.247768D+01  0.187492D+01  0.174408D+01 -0.587226D+00 -0.357576D+01
      2  -0.101779D+01  0.174408D+01  0.148330D+01 -0.954342D+00 -0.138039D+01
      3   0.188182D+01 -0.587226D+00 -0.954342D+00  0.101771D+01  0.255941D+01
                71            72            73            74            75 
      1  -0.138039D+01  0.255941D+01  0.908062D+00  0.163995D+01  0.107847D+01
      2  -0.161631D+01  0.182251D+01  0.163995D+01  0.602170D+00  0.551101D+00
      3   0.182251D+01 -0.256651D+01  0.107847D+01  0.551101D+00  0.106805D+01
                76            77            78            79            80 
      1   0.144870D+01  0.751510D+00  0.574893D+00  0.172157D+01  0.830214D+00
      2   0.751510D+00  0.231741D+01  0.202786D+01  0.830214D+00  0.328036D+01
      3   0.574893D+00  0.202786D+01  0.202734D+01  0.209781D+01  0.283661D+01
                81            82            83            84            85 
      1   0.209781D+01 -0.345272D+00 -0.516406D+00 -0.963829D+00 -0.882541D+00
      2   0.283661D+01 -0.516406D+00 -0.252167D+00  0.343983D-01 -0.541428D+00
      3   0.578085D+01 -0.963829D+00  0.343983D-01 -0.865727D+00 -0.249518D+00
                86            87            88            89            90 
      1  -0.541428D+00 -0.249518D+00 -0.148232D+01 -0.127036D+00 -0.126020D+01
      2   0.148964D+00 -0.117018D+01 -0.127036D+00 -0.122931D+01  0.209472D+00
      3  -0.117018D+01 -0.118764D+01 -0.126020D+01  0.209472D+00 -0.810886D+01
                91            92            93            94            95 
      1  -0.124633D+00  0.131959D+01  0.173318D+00  0.144790D+01 -0.992043D+00
      2   0.131959D+01 -0.742170D+00  0.584333D-01 -0.992043D+00  0.127938D+02
      3   0.173318D+00  0.584333D-01 -0.348563D+00  0.901436D-01 -0.125707D+01
                96            97            98            99           100 
      1   0.901436D-01  0.458526D+00 -0.216841D-01 -0.404033D+00 -0.975664D+01
      2  -0.125707D+01 -0.216841D-01  0.104997D+00  0.122329D+01  0.298984D+01
      3   0.870245D+00 -0.404033D+00  0.122329D+01 -0.820894D+00 -0.124274D+01
               101           102           103           104           105 
      1   0.298984D+01 -0.124274D+01  0.228792D+01 -0.207715D+01  0.175012D+00
      2  -0.226749D+01  0.299924D+00 -0.207715D+01  0.121068D+01 -0.371769D+00
      3   0.299924D+00 -0.103536D+01  0.175012D+00 -0.371769D+00  0.692996D+00
               106           107           108           109           110 
      1  -0.250668D+01  0.732256D+00 -0.142597D+01 -0.515945D+00  0.101851D+01
      2   0.732256D+00 -0.888678D+00  0.104686D+01  0.101851D+01  0.261012D+00
      3  -0.142597D+01  0.104686D+01 -0.320382D+00  0.857978D+00  0.483068D-01
               111           112           113           114           115 
      1   0.857978D+00  0.894804D+00 -0.152615D+00 -0.340399D+00  0.103283D+01
      2   0.483068D-01 -0.152615D+00  0.172926D+01  0.213523D+01 -0.261952D+00
      3   0.377199D+00 -0.340399D+00  0.213523D+01  0.239314D+01 -0.856826D+00
               116           117           118           119           120 
      1  -0.261952D+00 -0.856826D+00  0.488797D+01 -0.216006D+01  0.419371D+01
      2   0.280158D+01  0.314291D+01 -0.216006D+01 -0.442340D+00 -0.430560D+00
      3   0.314291D+01  0.795841D+01  0.419371D+01 -0.430560D+00 -0.162453D+01
               121           122           123           124           125 
      1  -0.311789D+01  0.351870D+00 -0.929680D+00  0.366749D+01 -0.527317D+00
      2   0.351870D+00  0.771565D+01 -0.239302D+00 -0.527317D+00 -0.144288D+01
      3  -0.929680D+00 -0.239302D+00 -0.275518D+01 -0.249583D+01 -0.301053D+01
               126           127           128           129           130 
      1  -0.249583D+01 -0.526259D+01 -0.208275D+01  0.328460D+01 -0.201704D+01
      2  -0.301053D+01 -0.208275D+01 -0.168758D+01  0.863345D+00 -0.182446D+01
      3  -0.498664D+00  0.328460D+01  0.863345D+00 -0.301253D+01  0.864636D+00
               131           132           133           134           135 
      1  -0.182446D+01  0.864636D+00  0.356939D+01  0.103133D+01 -0.331847D+01
      2  -0.111838D+01  0.134992D+01  0.103133D+01  0.144083D+01 -0.190946D+01
      3   0.134992D+01 -0.171023D+01 -0.331847D+01 -0.190946D+01  0.428562D+01
               136           137           138           139           140 
      1   0.259245D+00 -0.114024D+01 -0.135006D+00 -0.141235D+01  0.102275D+01
      2  -0.114024D+01  0.111921D+01 -0.320361D+00  0.102275D+01 -0.971463D+01
      3  -0.135006D+00 -0.320361D+00  0.303408D+00 -0.349554D+00  0.148546D+01
               141           142           143           144           145 
      1  -0.349554D+00 -0.410851D+00 -0.298195D-01  0.287795D+00 -0.327053D+00
      2   0.148546D+01 -0.298195D-01 -0.222528D+00 -0.101631D+01  0.547670D+00
      3  -0.121980D+01  0.287795D+00 -0.101631D+01  0.920622D+00  0.118060D+01
               146           147           148           149           150 
      1   0.547670D+00  0.118060D+01  0.123447D+01  0.419864D+00  0.520874D-01
      2   0.253008D+00 -0.148654D+00  0.419864D+00 -0.702539D-01  0.123839D+01
      3  -0.148654D+00  0.109483D+01  0.520874D-01  0.123839D+01  0.181554D+01
               151           152           153           154           155 
      1   0.148835D+01  0.845217D-01  0.964160D+00  0.206462D+01  0.846545D+00
      2   0.845217D-01  0.118938D+01  0.373514D+00  0.846545D+00  0.121136D+01
      3   0.964160D+00  0.373514D+00  0.964678D+01 -0.176701D+01  0.123389D+00
               156           157           158           159           160 
      1  -0.176701D+01  0.943574D+00  0.726687D+00 -0.731153D-01 -0.211230D+01
      2   0.123389D+00  0.726687D+00  0.486379D-01 -0.588648D+00 -0.255825D+00
      3   0.265547D+01 -0.731153D-01 -0.588648D+00  0.937043D+00  0.149873D+01
               161           162           163           164           165 
      1  -0.255825D+00  0.149873D+01 -0.853122D+01  0.409892D+00 -0.338557D+01
      2  -0.941169D+00  0.295364D+00  0.409892D+00 -0.139578D+01 -0.173866D-01
      3   0.295364D+00 -0.466818D+01 -0.338557D+01 -0.173866D-01 -0.228154D+01
               166           167           168           169           170 
      1   0.189717D+01 -0.111610D+01  0.841486D+00 -0.239854D+01  0.169427D+00
      2  -0.111610D+01 -0.768536D-01 -0.419688D+00  0.169427D+00 -0.220781D+00
      3   0.841486D+00 -0.419688D+00  0.107896D+01 -0.186215D+01  0.349875D+00
               171           172           173           174           175 
      1  -0.186215D+01 -0.833427D+00 -0.990365D+00 -0.504878D+00 -0.134198D+01
      2   0.349875D+00 -0.990365D+00 -0.180442D+00  0.572245D-01 -0.147773D+01
      3  -0.179347D+01 -0.504878D+00  0.572245D-01  0.197582D+00 -0.330650D+00
               176           177           178           179           180 
      1  -0.147773D+01 -0.330650D+00 -0.146179D+00  0.464113D-01  0.100531D+00
      2  -0.104771D+02 -0.114514D+01  0.464113D-01  0.371533D+00 -0.831666D+00
      3  -0.114514D+01 -0.130274D+01  0.100531D+00 -0.831666D+00 -0.392499D-02
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.878255D+01  0.107828D+02 -0.266955D+01  0.970410D+01 -0.463654D+00
      2  -0.939036D+01 -0.114072D+02 -0.825896D-01 -0.872565D+01  0.149530D+01
      3  -0.688169D+01 -0.107853D+02  0.401141D+01  0.979817D+00  0.114658D+00
                 6             7             8             9            10 
      1   0.749479D+01 -0.267638D+00  0.171523D+02 -0.583062D+01 -0.789443D+01
      2  -0.139922D+01 -0.114170D+02 -0.355906D+01  0.125386D+02  0.916332D+01
      3  -0.840342D+01  0.718295D+00 -0.111178D+02  0.235909D+01  0.132433D+02
                11            12            13            14            15 
      1  -0.371216D+00  0.326935D+01 -0.326763D+01  0.123151D+01 -0.121436D+01
      2   0.159336D+01 -0.272081D+01  0.248932D+01 -0.269357D+01 -0.262618D+01
      3  -0.790713D+01  0.315779D+01 -0.443088D+00 -0.572815D+01  0.477574D+01
                16            17            18            19            20 
      1   0.327946D+01  0.932320D+01  0.756255D+01  0.558408D+01 -0.182203D+01
      2  -0.860169D+01 -0.443997D+01 -0.664329D+01 -0.136636D+01  0.183191D+01
      3   0.496888D+01  0.284993D+01 -0.916214D+00 -0.827509D+01  0.899302D+01
                21            22            23            24            25 
      1  -0.267413D+01  0.164361D+01  0.217952D+01 -0.735408D+01 -0.299049D+01
      2   0.215366D+00 -0.444150D+00  0.397807D+01 -0.106471D+01 -0.578125D+01
      3  -0.570412D+01  0.100321D+02  0.187223D+01 -0.192291D+01 -0.624942D+01
                26            27            28            29            30 
      1  -0.135174D+01 -0.137067D+02 -0.581421D+01  0.515618D+00  0.108376D+01
      2  -0.149288D+00  0.424574D+00 -0.106619D+02  0.149589D+01  0.270061D+01
      3  -0.139703D+01  0.380756D+01  0.619638D+00 -0.911147D+01  0.396266D+01
                31            32            33            34            35 
      1   0.886820D+00  0.371588D+01  0.187458D+01  0.448506D+00  0.797751D+01
      2   0.166103D+01  0.825202D+00  0.504330D+01 -0.413696D+01  0.632386D+01
      3  -0.252788D+01  0.773105D+01 -0.976550D-01  0.515804D+01 -0.142707D+01
                36            37            38            39            40 
      1   0.570026D+01 -0.800283D+00  0.541826D+00  0.834953D+00  0.135288D+01
      2   0.896046D+01  0.138275D+02 -0.124295D+01  0.184836D+01 -0.640862D+01
      3  -0.634788D+01  0.833327D+01 -0.533029D+01  0.289236D+01 -0.831668D+00
                41            42            43            44            45 
      1  -0.340106D+01 -0.130082D+01 -0.156939D+01  0.677731D+01  0.267339D+01
      2  -0.193775D+01 -0.350670D+01 -0.187406D+01 -0.452361D+01 -0.272578D+01
      3  -0.106066D+02  0.146177D+01  0.531943D+01  0.118330D+01  0.283201D+01
                46            47            48            49            50 
      1  -0.420395D+00 -0.412334D+01 -0.278647D+01 -0.395908D+01  0.877940D+01
      2  -0.845117D+01  0.535419D+01  0.519562D+00  0.617496D+01  0.175725D+01
      3  -0.330625D+01  0.524026D+01 -0.281595D+01  0.114168D+02 -0.222448D+01
                51            52            53            54            55 
      1  -0.929941D+01  0.235446D+00 -0.213171D+01 -0.905265D+01 -0.512324D+01
      2   0.230925D+01 -0.938251D+01  0.108096D+01 -0.223298D+01 -0.240922D+01
      3   0.159296D+01 -0.396841D+01  0.141076D+01  0.134807D+01  0.213841D+01
                56            57            58            59            60 
      1  -0.489441D+01  0.387199D+01 -0.208997D+01 -0.376304D-01 -0.751347D+01
      2   0.499547D+01  0.856736D+01  0.433947D+01 -0.362693D+01 -0.283660D+01
      3  -0.671081D+01 -0.131263D+01  0.700633D+00  0.925923D+01  0.403588D+01
                61            62            63            64            65 
      1   0.788571D+00 -0.230167D+01  0.107169D+00  0.333827D+01  0.128290D+01
      2   0.452189D+01 -0.551392D+00 -0.104234D+02 -0.239870D+01 -0.229028D+01
      3   0.816875D+00  0.800066D+01  0.938361D+00  0.525446D+01 -0.252587D+01
                66            67            68            69            70 
      1  -0.342911D+01  0.149077D+01  0.127387D+01 -0.275514D+01 -0.391605D+01
      2   0.490420D+01 -0.756852D+00 -0.111488D+01  0.208579D+01  0.247702D+01
      3  -0.177365D+01  0.188654D+01  0.748626D+00  0.538785D-01 -0.369139D+01
                71            72            73            74            75 
      1  -0.680185D+00  0.393521D+01 -0.168325D+01 -0.110215D+01 -0.217874D+01
      2   0.259301D+01 -0.487452D+01  0.142651D+01  0.101009D+01  0.314483D+01
      3   0.141485D+01  0.622220D+00 -0.100302D+01  0.100683D+01  0.884000D+00
                76            77            78            79            80 
      1  -0.854577D+00 -0.151760D+01 -0.398191D+01 -0.327266D+01 -0.437418D+01
      2   0.520209D+00  0.236457D+01  0.301694D+01  0.129497D+01  0.580724D+01
      3   0.275116D+01 -0.215219D+01 -0.195922D+01  0.250398D+01 -0.207649D+01
                81            82            83            84            85 
      1  -0.103229D+02  0.219122D+01  0.102021D+01  0.210583D+01  0.150754D+01
      2   0.100644D+02 -0.825108D-01 -0.582562D+00  0.577437D+00 -0.163226D+01
      3   0.236198D-01 -0.728455D+00 -0.312607D+01 -0.175896D+01 -0.171080D+01
                86            87            88            89            90 
      1   0.377872D+01  0.325802D+01  0.271290D+01  0.443235D+01  0.165466D+02
      2  -0.826335D+00 -0.100645D+00 -0.369738D+01 -0.553655D+00  0.727798D+00
      3  -0.576781D+00 -0.360664D+00 -0.278072D+01 -0.889129D+00 -0.194556D+01
                91            92            93            94            95 
      1  -0.109966D+01  0.442766D+00  0.493464D+00 -0.412710D+00 -0.194242D+01
      2   0.414547D-01  0.433330D+00  0.120294D+01  0.191886D+01 -0.193240D+01
      3   0.150803D+00  0.952827D+00  0.892516D+00  0.717755D+01 -0.121987D+00
                96            97            98            99           100 
      1  -0.418667D+01  0.353410D+00 -0.104560D+01  0.171064D+01  0.341439D+01
      2  -0.293596D+00 -0.176289D+00 -0.693081D+00 -0.322146D+00  0.652017D+01
      3  -0.311704D+00  0.166147D+01 -0.570428D+00 -0.631889D+00 -0.824584D+01
               101           102           103           104           105 
      1  -0.121284D+01  0.226229D+01 -0.136820D+01  0.964911D+00 -0.212910D+01
      2  -0.220212D+01  0.529273D+01 -0.127006D+01  0.151629D+01 -0.198833D+01
      3  -0.383646D+01 -0.983049D+00  0.121122D+01 -0.236389D+00 -0.485742D+00
               106           107           108           109           110 
      1   0.217363D+01 -0.504292D+00  0.118160D+01  0.191012D-01  0.597610D+00
      2   0.250829D+01 -0.233936D+01  0.180919D+01 -0.830601D+00 -0.763707D+00
      3  -0.271649D+01 -0.170904D+01  0.180821D+00  0.121797D+01  0.107666D+01
               111           112           113           114           115 
      1  -0.773674D+00  0.260704D+00 -0.462106D+00 -0.296984D+01  0.853316D+00
      2  -0.141992D+00 -0.796046D+00 -0.312059D+01 -0.343182D+01 -0.240345D+01
      3   0.878131D+00  0.285624D+01  0.205813D+01  0.274198D+01  0.186657D+01
               116           117           118           119           120 
      1   0.129186D+01 -0.841549D+01  0.959990D+01 -0.222323D+00 -0.278596D+01
      2  -0.447184D+01 -0.118750D+02 -0.292210D+01 -0.809631D+00  0.126033D+02
      3   0.424702D+01  0.345388D+01 -0.114516D+02  0.170386D+00 -0.767121D+01
               121           122           123           124           125 
      1  -0.299614D+01 -0.110768D+02 -0.757166D+01 -0.302051D+01 -0.183571D+01
      2  -0.977720D+00  0.936075D+00  0.442304D+01  0.775318D+01  0.517332D+01
      3   0.731281D+01  0.143318D+02  0.582804D+00 -0.668038D+01 -0.160035D+01
               126           127           128           129           130 
      1   0.384177D+01 -0.111543D+00 -0.206651D+01 -0.116468D+01 -0.144147D+01
      2  -0.212515D+01  0.488958D+00  0.305971D+00  0.322509D+01  0.148781D+01
      3  -0.219979D+01  0.101736D+01 -0.345638D+01 -0.137904D+01  0.623557D+00
               131           132           133           134           135 
      1  -0.738232D+00 -0.142596D+01  0.271584D+00  0.188778D+01  0.733786D+00
      2  -0.269655D+00  0.251520D+01 -0.166853D+01  0.190584D+01 -0.364875D+01
      3  -0.862509D+00  0.147362D+01 -0.286684D+01  0.257205D+01 -0.242915D+00
               136           137           138           139           140 
      1  -0.742608D+00  0.590313D+00  0.240143D+00  0.459084D+00 -0.103972D+02
      2  -0.839983D+00  0.985070D+00  0.142367D+01  0.197763D+01 -0.888391D+00
      3  -0.122276D+01 -0.816727D+00  0.781313D+00  0.511904D+01  0.187756D+01
               141           142           143           144           145 
      1  -0.259920D+01  0.651046D+00 -0.298303D+00 -0.328084D+00  0.138233D+01
      2  -0.279199D+00 -0.413427D+00 -0.225954D+00 -0.103532D+00  0.107532D+01
      3   0.238623D+00  0.759851D+00  0.745773D+00  0.923570D-01  0.781495D+00
               146           147           148           149           150 
      1   0.393422D+00  0.263931D+01 -0.365063D+00  0.153634D+01  0.416638D+01
      2  -0.571450D+00 -0.130530D+01 -0.167337D+01 -0.160851D+00 -0.576312D+00
      3  -0.185719D+01 -0.194652D+01 -0.754239D-01 -0.373627D+00 -0.115897D+01
               151           152           153           154           155 
      1   0.899751D+00  0.452682D+01  0.131220D+02 -0.472129D+01 -0.327805D+01
      2  -0.359220D+01  0.369588D+00 -0.335903D+00  0.825951D+01  0.180756D+01
      3  -0.125215D+01 -0.413521D+00 -0.269124D+01 -0.202997D+01 -0.705073D+00
               156           157           158           159           160 
      1   0.420524D+01 -0.205995D+01 -0.269462D+01  0.162622D+01  0.370752D+01
      2  -0.616074D+01  0.229656D+01  0.259745D+01 -0.179414D+01 -0.866983D+01
      3   0.262380D+01  0.630353D+00 -0.793707D+00 -0.829857D+00  0.249886D+01
               161           162           163           164           165 
      1   0.422204D+01 -0.726037D+01 -0.573323D+01  0.264171D+01 -0.288247D+01
      2  -0.160288D+01  0.961391D+01 -0.326117D+01  0.100306D+01  0.353228D+01
      3  -0.354936D+00 -0.205467D+01  0.116940D+02 -0.630153D+01  0.422356D+01
               166           167           168           169           170 
      1   0.202249D+01 -0.934865D+00  0.100752D+01 -0.258208D+01  0.211386D+01
      2   0.761368D+00 -0.164418D+00 -0.179628D+01 -0.155667D+01 -0.639350D+00
      3  -0.357515D+01  0.197702D+01 -0.146117D+01  0.378833D+01 -0.132852D+01
               171           172           173           174           175 
      1  -0.279267D+01 -0.167699D+00  0.283738D+00  0.338456D+00  0.645244D+00
      2   0.222290D+01  0.652851D+00 -0.728468D+00 -0.151623D+00 -0.942505D+00
      3   0.318565D+01 -0.576623D+00  0.166225D-01  0.819690D+00  0.265942D+01
               176           177           178           179           180 
      1   0.998846D+01 -0.432057D+01  0.514273D+00 -0.167998D+00  0.812437D+00
      2   0.126558D+01  0.230021D+01 -0.137733D+01  0.122793D+01  0.109558D+00
      3  -0.170262D+02 -0.112694D+01  0.145228D+00  0.459946D+00 -0.181347D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.207166D+02  0.138240D+02 -0.215434D+01  0.187181D+02 -0.756472D+01
      2   0.774185D+01 -0.506097D+01 -0.322276D+01 -0.132022D+02  0.728745D+00
      3   0.129747D+02 -0.876301D+01  0.537710D+01 -0.551590D+01  0.683598D+01
      4   0.239470D+02 -0.102141D+02 -0.838422D+01 -0.165351D+02 -0.106169D+01
      5   0.822194D+01 -0.595730D+01 -0.275606D+01 -0.798681D+01  0.544523D+01
      6  -0.430478D+01  0.771055D+01  0.195923D+01  0.795583D+00 -0.488040D+01
                 6             7             8             9            10 
      1  -0.811472D+01  0.125674D+02 -0.101285D+02 -0.210452D+01  0.107966D+00
      2   0.335324D+01 -0.609518D+01  0.244091D+01 -0.328802D+01 -0.325330D+01
      3   0.476148D+01 -0.647217D+01  0.768756D+01  0.539254D+01  0.314533D+01
      4   0.395140D+01 -0.126602D+02  0.991168D+01  0.100302D+02 -0.102087D+02
      5   0.685991D+01  0.220790D+01  0.553650D+01  0.122032D+02  0.105942D+02
      6  -0.780004D+01  0.339081D+01 -0.269097D+01  0.951405D+00  0.978650D+01
                11            12            13            14            15 
      1  -0.840504D+01  0.945895D+01 -0.723410D+01 -0.293951D+01  0.532408D+01
      2   0.486139D+01 -0.482326D+01  0.434689D+01  0.128105D+02 -0.333036D+01
      3   0.354365D+01 -0.463568D+01  0.288721D+01 -0.987095D+01 -0.199372D+01
      4  -0.105635D+02  0.846621D+01 -0.252894D+01  0.268595D+00 -0.306620D+01
      5   0.579173D+01 -0.109678D+02  0.396101D+01 -0.183675D+01 -0.886836D+01
      6  -0.154987D+01 -0.772552D+01  0.132922D+01 -0.213404D+01 -0.638588D+01
                16            17            18            19            20 
      1   0.889072D+01  0.905019D+01 -0.230699D+00 -0.556794D+01 -0.200398D+01
      2  -0.423469D+01 -0.521231D+01 -0.178258D+01  0.801414D+01  0.379036D+01
      3  -0.465603D+01 -0.383788D+01  0.201328D+01 -0.244619D+01 -0.178638D+01
      4   0.104311D+02 -0.584141D+01 -0.197975D+02 -0.569244D+01  0.856496D+00
      5  -0.131712D+02 -0.131688D+02 -0.769250D+01  0.200426D+01 -0.152570D+01
      6  -0.106692D+02 -0.147148D+02 -0.141671D+02 -0.799695D+01 -0.808721D-01
                21            22            23            24            25 
      1   0.232556D+01 -0.160374D+01  0.284758D+02  0.329836D+00  0.322893D+01
      2   0.217325D-01  0.502492D+01 -0.527439D+02  0.531493D+01  0.684790D+00
      3  -0.234729D+01 -0.342118D+01  0.242681D+02 -0.564476D+01 -0.391372D+01
      4  -0.466670D+01  0.563601D+01  0.110417D+02 -0.134324D+01 -0.517037D+01
      5  -0.134746D+01 -0.217412D+00 -0.955365D+00 -0.962139D+00  0.658604D+00
      6   0.536326D+01 -0.186630D+01  0.856293D+01  0.788657D+01  0.459302D+01
                26            27            28            29            30 
      1   0.849645D+00  0.472303D+01 -0.246071D+02  0.149823D+02 -0.101685D+02
      2  -0.728816D+00  0.130094D+02  0.538507D+01 -0.815610D+01  0.666510D+01
      3  -0.120829D+00 -0.177324D+02  0.192220D+02 -0.682619D+01  0.350342D+01
      4   0.117782D+01  0.283071D+01  0.223246D+02 -0.760642D+01  0.615250D+01
      5  -0.724899D+00 -0.507125D+01 -0.984690D+01  0.466687D+00  0.375463D+01
      6   0.780557D+01  0.181044D+02  0.359005D+01  0.692934D+00 -0.289905D+01
                31            32            33            34            35 
      1   0.104234D+02 -0.281034D+01  0.594231D+01 -0.126888D+02  0.668725D+01
      2  -0.542894D+01  0.913343D+01  0.119278D+01  0.646814D+01  0.403440D+01
      3  -0.499448D+01 -0.632309D+01 -0.713508D+01  0.622070D+01 -0.107216D+02
      4  -0.922812D+01 -0.746715D+01  0.100978D+01  0.102380D+02  0.343524D+01
      5   0.149026D-01 -0.236348D+01  0.693433D+01  0.128197D+01  0.987024D+01
      6  -0.738493D+00 -0.266836D+01 -0.101315D+02  0.576358D+00 -0.103862D+02
                36            37            38            39            40 
      1   0.118858D+02  0.155154D+01 -0.916876D+01  0.147226D+02 -0.649324D+01
      2  -0.145382D+00  0.166629D+01  0.575612D+01 -0.103106D+02  0.440372D+01
      3  -0.117404D+02 -0.321783D+01  0.341265D+01 -0.441196D+01  0.208952D+01
      4   0.107627D+02 -0.749272D+01 -0.607996D+01  0.683478D+01 -0.763654D+01
      5   0.135716D+02  0.187802D+02  0.611729D+01 -0.150110D+02  0.279618D+01
      6  -0.212857D+02  0.997111D+01  0.449100D+00 -0.627714D+01  0.294997D+01
                41            42            43            44            45 
      1  -0.534009D+01 -0.943241D+00  0.118779D+02  0.230006D+01 -0.108310D+02
      2   0.749319D+01 -0.852587D+00 -0.940347D+01 -0.618873D+01  0.340555D+01
      3  -0.215310D+01  0.179583D+01 -0.247446D+01  0.388867D+01  0.742545D+01
      4   0.658650D+01  0.157128D+01  0.461828D+01 -0.259602D+01 -0.171813D+02
      5   0.414788D+01 -0.109064D+02 -0.167085D+02 -0.141144D+02  0.423943D+01
      6  -0.339703D-02 -0.716910D+01 -0.949913D+01 -0.631176D+01  0.203539D+01
                46            47            48            49            50 
      1  -0.425355D+00 -0.514927D+01  0.299471D+01 -0.162567D+01  0.145513D+02
      2  -0.767268D+00  0.676650D+01  0.381564D+01  0.349998D+01 -0.265794D+02
      3   0.119262D+01 -0.161723D+01 -0.681034D+01 -0.187432D+01  0.120281D+02
      4  -0.641551D+01  0.681604D+00 -0.938344D+00  0.340419D+01  0.836108D+01
      5  -0.362638D+01 -0.100687D+01  0.261630D+01 -0.115738D+01 -0.253898D+01
      6  -0.657206D+01 -0.442970D+01  0.290438D+01 -0.246400D+01  0.101141D+02
                51            52            53            54            55 
      1   0.626118D+01 -0.246335D+01  0.554716D+01  0.161210D+02  0.592874D+02
      2   0.774266D+01  0.228487D+01  0.187960D+01  0.142055D+02 -0.272601D+02
      3  -0.140038D+02  0.178484D+00 -0.742677D+01 -0.303265D+02 -0.320274D+02
      4  -0.295377D+00 -0.249807D+00 -0.233881D+00 -0.233046D+00 -0.357149D+02
      5   0.782872D+00  0.325964D+01 -0.760742D+00 -0.700421D+01 -0.133563D+02
      6   0.523082D+01  0.746575D+00  0.548317D+01  0.306819D+01  0.561215D+01
                56            57            58            59            60 
      1  -0.176836D+02 -0.819862D+01 -0.178473D+02  0.899129D+01  0.195179D+01
      2   0.507229D+01  0.678344D+01  0.463763D+01  0.482872D+01  0.269761D+00
      3   0.126113D+02  0.141517D+01  0.132097D+02 -0.138200D+02 -0.222155D+01
      4   0.251449D+02  0.781568D+01  0.308861D+02 -0.243351D+02 -0.827412D+01
      5   0.584427D+01  0.151762D+02  0.734579D+01 -0.708361D+01 -0.895795D+01
      6  -0.375542D+01 -0.589673D+01 -0.419150D+01  0.846934D+01  0.110050D+02
                61            62            63            64            65 
      1  -0.115330D+02  0.395923D+01  0.527827D+01  0.211884D+02  0.583255D+01
      2   0.902391D+01 -0.784370D+00 -0.829829D+01 -0.872811D+01  0.448686D+00
      3   0.250912D+01 -0.317486D+01  0.302003D+01 -0.124603D+02 -0.628123D+01
      4   0.122795D+02 -0.872630D+01 -0.131774D+02  0.237436D+02  0.158906D+02
      5   0.200828D+02 -0.117367D+02 -0.183444D+02 -0.138757D+02 -0.569563D+01
      6  -0.832277D+01  0.121256D+02  0.747630D+01 -0.783241D+01 -0.413772D+01
                66            67            68            69            70 
      1  -0.721780D+01  0.155804D+01  0.128058D+00  0.674271D+00 -0.831538D+01
      2   0.414697D+01  0.378773D+01  0.459346D+01 -0.268269D+01  0.518118D+01
      3   0.307082D+01 -0.534577D+01 -0.472152D+01  0.200842D+01  0.313419D+01
      4  -0.967731D+01  0.129258D+02  0.109138D+02 -0.554562D+01 -0.136831D+02
      5   0.110390D+02 -0.319968D+01 -0.475929D+01  0.395205D+01  0.134177D+02
      6   0.640563D+01 -0.400031D+01 -0.523474D+01  0.642566D+01  0.841611D+01
                71            72            73            74            75 
      1  -0.102702D+01  0.182515D+01  0.125403D+01  0.333348D+01  0.200141D+01
      2  -0.160995D+01 -0.364960D+01  0.518237D-01 -0.112215D+01 -0.199271D+01
      3   0.263697D+01  0.182445D+01 -0.130585D+01 -0.221134D+01 -0.870754D-02
      4  -0.923803D+01  0.115062D+02  0.762569D+01  0.786204D+01  0.559104D+01
      5   0.786734D+01 -0.122430D+02  0.557276D+01  0.304925D+01  0.786678D+01
      6   0.817170D+01 -0.830089D+01  0.450036D+01  0.291961D+01  0.402352D+01
                76            77            78            79            80 
      1   0.145056D+01 -0.623601D+01 -0.453749D+01  0.275266D+01 -0.686797D+01
      2   0.816614D+00  0.802886D+01  0.510291D+01 -0.240058D+01  0.632136D+01
      3  -0.226718D+01 -0.179285D+01 -0.565421D+00 -0.352085D+00  0.546613D+00
      4   0.712503D+01  0.934179D+01  0.769314D+01  0.812055D+01  0.131911D+02
      5   0.218436D+01  0.629045D+01  0.595570D+01  0.102621D+02  0.102469D+02
      6   0.362418D+01  0.103298D+02  0.116629D+02  0.789549D+01  0.155631D+02
                81            82            83            84            85 
      1  -0.702789D+01  0.151829D+01  0.527444D+00 -0.143786D+00  0.130359D+00
      2  -0.172884D+01 -0.502875D+01 -0.125466D+01 -0.121704D+01 -0.175923D+01
      3   0.875673D+01  0.351046D+01  0.727217D+00  0.136083D+01  0.162888D+01
      4   0.144918D+02 -0.670044D+00  0.190229D+01 -0.194234D+01 -0.327694D+00
      5   0.189207D+02  0.253437D+01  0.637508D+00  0.770948D+01  0.812129D+00
      6   0.225503D+02 -0.168815D+01  0.112276D+01 -0.274309D+01  0.594706D+00
                86            87            88            89            90 
      1  -0.335280D+01  0.259932D+00 -0.140840D+01  0.289533D+01 -0.167190D+02
      2   0.302884D+01 -0.514739D+01 -0.264743D+01 -0.418422D+01 -0.148924D+02
      3   0.323960D+00  0.488746D+01  0.405583D+01  0.128889D+01  0.316114D+02
      4  -0.565501D+00  0.116642D+01 -0.350336D+01  0.179221D+01 -0.183910D+01
      5   0.129662D+01  0.104917D+01  0.550153D+01  0.694768D-01  0.776923D+01
      6  -0.229191D+01  0.277502D+00 -0.318158D+01  0.576702D+01 -0.232881D+02
                91            92            93            94            95 
      1  -0.221808D+01  0.124984D+01 -0.398217D+00  0.259593D+01 -0.439706D+02
      2   0.696787D+01 -0.382163D+01  0.118880D+00 -0.517488D+01  0.785343D+02
      3  -0.474979D+01  0.257179D+01  0.279337D+00  0.257895D+01 -0.345638D+02
      4  -0.199066D+01  0.114865D+02 -0.528139D+00  0.929715D+01 -0.118086D+02
      5   0.584231D-01 -0.174713D+01  0.192088D+01 -0.139628D+01  0.224452D+01
      6  -0.185445D+00  0.578741D+00 -0.910390D+00  0.106246D+01 -0.139960D+02
                96            97            98            99           100 
      1   0.468037D+01 -0.239165D+00  0.428527D+00 -0.558624D+01  0.467288D+02
      2  -0.631843D+01 -0.464529D+00  0.104664D+01  0.532046D+01 -0.191887D+02
      3   0.163806D+01  0.703693D+00 -0.147517D+01  0.265774D+00 -0.275401D+02
      4   0.104811D+01  0.744818D+00 -0.142582D+00 -0.139334D+01 -0.324990D+02
      5  -0.775002D+00  0.115120D+01 -0.771226D+00  0.636296D+00  0.330605D+01
      6   0.870702D+01 -0.142426D+01  0.996953D+01 -0.307031D+01 -0.897134D+00
               101           102           103           104           105 
      1  -0.109514D+02  0.558026D+01 -0.669739D+01  0.545216D+01 -0.963138D+00
      2   0.943951D+00 -0.221356D+01 -0.172825D+01  0.173050D+01 -0.103654D+01
      3   0.100075D+02 -0.336670D+01  0.842564D+01 -0.718266D+01  0.199968D+01
      4   0.176787D+02 -0.383454D+01  0.169428D+02 -0.107911D+02  0.231693D+01
      5  -0.572506D+00  0.701147D+01 -0.615958D+00  0.160297D+01 -0.240655D+01
      6  -0.143876D+00 -0.275731D+01  0.304324D+00 -0.937720D+00  0.348329D+01
               106           107           108           109           110 
      1   0.934204D+01 -0.262471D+01  0.345668D+01  0.147476D+01 -0.399659D+01
      2  -0.386804D+01 -0.129988D+01 -0.251222D+01 -0.147533D+01  0.250488D+01
      3  -0.547401D+01  0.392459D+01 -0.944464D+00  0.570951D-03  0.149171D+01
      4  -0.862046D+01  0.467153D+01 -0.575332D+01 -0.357961D+01  0.304643D+01
      5   0.853469D+01 -0.396135D+01  0.319596D+01 -0.184292D+01  0.175466D+01
      6  -0.356465D+01  0.376444D+01 -0.494828D+00  0.298729D+01  0.572096D+00
               111           112           113           114           115 
      1  -0.254576D+01 -0.195532D+01 -0.749263D+01 -0.669157D+01 -0.137394D+01
      2   0.138245D+01  0.103100D+01  0.558964D+01  0.375587D+01  0.198739D+01
      3   0.116331D+01  0.924326D+00  0.190299D+01  0.293570D+01 -0.613447D+00
      4   0.242279D+01  0.455092D+01 -0.456940D+01 -0.604677D+01  0.403753D+01
      5   0.442727D+01  0.232397D+01 -0.503293D+01 -0.565380D+01  0.717996D+01
      6   0.180114D+01 -0.150351D+01  0.112294D+02  0.145244D+02 -0.332785D+01
               116           117           118           119           120 
      1  -0.829703D+01 -0.162462D+02 -0.242519D+02  0.854091D+01 -0.239433D+02
      2   0.223580D+01 -0.840130D+01  0.246022D+02 -0.458060D+01  0.725156D+01
      3   0.606124D+01  0.246475D+02 -0.350327D+00 -0.396032D+01  0.166918D+02
      4  -0.829904D+01 -0.105806D+02  0.733301D+00  0.532548D+01 -0.545266D+01
      5  -0.879481D+01 -0.207726D+02 -0.221724D+02  0.452555D+01 -0.428006D+01
      6   0.150353D+02  0.269149D+02 -0.301395D+01  0.235151D-01  0.571281D+01
               121           122           123           124           125 
      1   0.147035D+02  0.150354D+02  0.108395D+01 -0.215633D+02 -0.229609D+01
      2  -0.110669D+02 -0.350914D+02 -0.637620D+01  0.791451D+01 -0.117486D+01
      3  -0.363656D+01  0.200561D+02  0.529225D+01  0.136488D+02  0.347096D+01
      4   0.401994D+01 -0.233024D+02  0.169513D+01 -0.480485D+01  0.496559D+01
      5   0.805767D+01  0.140530D+01  0.773004D+01 -0.182918D+01  0.929698D+01
      6   0.279801D+00 -0.822562D+01  0.754233D+01  0.740758D+01  0.728090D+01
               126           127           128           129           130 
      1   0.360478D+01  0.209513D+02  0.612489D+01 -0.108132D+02  0.458036D+01
      2   0.460482D+01 -0.149040D+02 -0.368032D+01  0.992912D+01 -0.128122D+01
      3  -0.820960D+01 -0.604730D+01 -0.244457D+01  0.884071D+00 -0.329913D+01
      4   0.144582D+02  0.151050D+02  0.104773D+02 -0.814995D+01  0.115295D+02
      5   0.560944D+01 -0.223886D+02 -0.687172D+01  0.190426D+02 -0.638508D+01
      6   0.486401D+01 -0.804950D+01 -0.431569D+01  0.733117D+01 -0.533719D+01
               131           132           133           134           135 
      1   0.202018D+01 -0.927813D+00 -0.847394D+01 -0.121582D+01  0.442376D+01
      2   0.284417D+00  0.351433D+00  0.104522D+02  0.278780D+01 -0.124299D+02
      3  -0.230459D+01  0.576380D+00 -0.197825D+01 -0.157198D+01  0.800618D+01
      4   0.807854D+01 -0.684885D+01 -0.870655D+01 -0.629333D+01  0.987886D+01
      5  -0.759258D+01  0.741502D+01  0.204418D+02  0.875560D+01 -0.225292D+02
      6  -0.616118D+01  0.853899D+01  0.770409D+01  0.741018D+01 -0.106669D+02
               136           137           138           139           140 
      1  -0.146370D+00  0.157891D+01 -0.963670D+00  0.126111D+01 -0.262177D+02
      2   0.420607D+01 -0.361264D+01  0.392090D+00 -0.269959D+01  0.426328D+02
      3  -0.405970D+01  0.203373D+01  0.571581D+00  0.143847D+01 -0.164152D+02
      4  -0.228168D+01  0.959319D+01 -0.123471D+01  0.707446D+01 -0.710616D+01
      5   0.640005D+00 -0.313995D+01  0.208039D+01 -0.250893D+01  0.288873D+01
      6  -0.175777D+01  0.218103D+01 -0.119401D+01  0.256820D+01 -0.189727D+02
               141           142           143           144           145 
      1   0.524259D+01 -0.582775D+00  0.618169D+00 -0.498818D+01 -0.308372D+00
      2  -0.473310D+01 -0.377364D+00  0.174204D+01  0.214875D+01 -0.483783D+01
      3  -0.509487D+00  0.960138D+00 -0.236021D+01  0.283943D+01  0.514620D+01
      4   0.154814D+01  0.106465D+00 -0.932166D+00 -0.797195D+00  0.986927D+00
      5  -0.121242D+01  0.936138D+00 -0.449358D+00  0.698723D+00  0.301901D+01
      6   0.952078D+01 -0.903198D+00  0.706101D+01 -0.298264D+01 -0.377150D+00
               146           147           148           149           150 
      1   0.820114D+00 -0.177186D+01  0.142010D+01 -0.424280D+01 -0.437494D+01
      2  -0.361912D+00 -0.286991D+01 -0.927784D+00  0.915596D-01 -0.595025D+01
      3  -0.458203D+00  0.464178D+01 -0.492318D+00  0.415124D+01  0.103252D+02
      4   0.124313D+01 -0.177989D+01 -0.385788D+00  0.676549D-02  0.676464D+00
      5   0.560719D+00  0.900313D+01  0.171582D+01  0.107511D+01  0.194263D+01
      6   0.124049D+01 -0.188656D+01  0.840910D+00  0.249251D-01  0.380009D+01
               151           152           153           154           155 
      1   0.870606D-02  0.228926D+00 -0.271498D+02 -0.387339D+01 -0.763662D+00
      2  -0.280869D+01 -0.292604D+01 -0.223955D+02 -0.379238D+01 -0.123022D+01
      3   0.279998D+01  0.269711D+01  0.495453D+02  0.766577D+01  0.199388D+01
      4  -0.241231D+01  0.773578D+00 -0.157495D+01 -0.602082D+01 -0.251310D+01
      5   0.656165D+01  0.266120D+00  0.906185D+01 -0.205469D+01 -0.169747D+01
      6  -0.123004D+01  0.572371D+01 -0.123681D+02  0.190703D+01 -0.320110D+01
               156           157           158           159           160 
      1   0.111297D+02 -0.302647D+01 -0.482886D+01  0.902439D+00  0.992954D+01
      2   0.182031D+01  0.117500D+01  0.411482D+01  0.305979D+01  0.978155D+00
      3  -0.129500D+02  0.185148D+01  0.714034D+00 -0.396223D+01 -0.109077D+02
      4   0.375908D+01 -0.143825D+01  0.227470D+00  0.106759D+01  0.559300D+01
      5   0.858274D+00 -0.200809D+01 -0.430363D+00 -0.214067D+01  0.441955D+01
      6  -0.582973D+01 -0.160699D+01  0.387973D+00  0.126993D+01 -0.232708D+01
               161           162           163           164           165 
      1   0.538697D+00 -0.152362D+02  0.488756D+02 -0.424243D+01  0.143207D+02
      2   0.240438D+01 -0.898302D+01 -0.323577D+02  0.483240D+01 -0.130158D+02
      3  -0.294307D+01  0.242193D+02 -0.165179D+02 -0.589965D+00 -0.130493D+01
      4   0.225179D+01 -0.483242D+01  0.118885D+02  0.774819D+01  0.502577D+01
      5   0.149244D-01  0.378420D+01  0.293850D+02 -0.114444D+01  0.184744D+02
      6   0.358649D+01  0.805230D+01  0.287273D+01  0.398069D+01  0.307064D+01
               166           167           168           169           170 
      1  -0.108968D+02  0.396335D+01 -0.298854D+01  0.107452D+02 -0.149136D+00
      2   0.861351D+01 -0.272316D+00  0.417519D+01 -0.106967D+02  0.129562D+01
      3   0.228331D+01 -0.369104D+01 -0.118665D+01 -0.485227D-01 -0.114649D+01
      4   0.470619D+01  0.124305D+00  0.156219D+01  0.390372D+01  0.143885D+01
      5  -0.668167D+01  0.338846D+01 -0.536596D+01  0.165273D+02 -0.179827D+01
      6   0.231945D+01 -0.440336D+00  0.618906D+00  0.200800D+01  0.166241D+01
               171           172           173           174           175 
      1   0.653752D+01  0.235006D+01  0.360316D+01  0.268385D+01  0.151226D+01
      2  -0.104112D+02  0.137160D+01 -0.112176D+01 -0.111097D+01  0.398478D+01
      3   0.387366D+01 -0.372166D+01 -0.248140D+01 -0.157287D+01 -0.549703D+01
      4   0.104492D+01  0.475114D+01  0.804312D+01  0.953738D+00  0.123624D+02
      5   0.121433D+02  0.272172D+01  0.104384D+01  0.176840D+01  0.294544D+01
      6   0.196510D+01  0.144810D+01  0.142727D+00 -0.452242D+00  0.271345D+01
               176           177           178           179           180 
      1  -0.236234D+02 -0.339981D+01  0.849698D+00 -0.785456D+00 -0.399409D+01
      2   0.510670D+02  0.268604D+01 -0.427745D+00 -0.236789D+01  0.396590D+01
      3  -0.274436D+02  0.713769D+00 -0.421952D+00  0.315334D+01  0.281928D-01
      4   0.345962D+02  0.378757D+01 -0.261937D+00 -0.130664D+01  0.215661D+01
      5   0.280809D+01  0.462755D+01  0.166441D+01  0.289601D+01 -0.502754D+00
      6   0.172606D+02  0.937904D+01  0.251308D+00  0.769640D+01  0.107511D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.130410D+01      0.331469D+01      0.110566D+02
   x         -0.102319D+01     -0.260068D+01     -0.867494D+01
   y          0.647983D+00      0.164701D+01      0.549383D+01
   z          0.483614D+00      0.122922D+01      0.410025D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.814059D+02      0.120631D+02      0.134220D+02
   aniso      0.127783D+02      0.189355D+01      0.210685D+01
   xx         0.863494D+02      0.127957D+02      0.142371D+02
   yx        -0.104942D+01     -0.155509D+00     -0.173027D+00
   yy         0.845157D+02      0.125239D+02      0.139348D+02
   zx        -0.193893D+01     -0.287320D+00     -0.319687D+00
   zy         0.293359D+00      0.434713D-01      0.483684D-01
   zz         0.733527D+02      0.108698D+02      0.120942D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.869232D+02      0.128807D+02      0.143317D+02
   aniso      0.138343D+02      0.205003D+01      0.228096D+01
   xx         0.923799D+02      0.136893D+02      0.152314D+02
   yx        -0.146042D+01     -0.216412D+00     -0.240790D+00
   yy         0.900028D+02      0.133370D+02      0.148395D+02
   zx        -0.232604D+01     -0.344684D+00     -0.383512D+00
   zy         0.432789D+00      0.641326D-01      0.713572D-01
   zz         0.783868D+02      0.116157D+02      0.129242D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.31995535          0.11008730         -2.11060588
     6          1.84263234          2.50472097         -0.63005441
     6         -0.04258463          2.84197498          1.55392716
     6         -0.21654866          0.46075033          3.18084895
     6         -0.88084855         -1.90126013          1.63091891
     6          1.05624842         -2.25554022         -0.51876698
     8          1.11292954          0.09261262         -4.38743087
     1          1.82350490          4.10364108         -1.92636991
     1          3.75399859          2.33996985          0.15341856
     1         -1.89984722          3.30447612          0.77908998
     1          0.52165459          4.45520983          2.70970982
     1         -1.61855586          0.72753580          4.67359822
     1          1.60017961          0.15352772          4.12344464
     6         -3.57737787         -1.82182635          0.59113052
     1         -0.73686767         -3.54289162          2.87853827
     1          0.55110110         -3.82818113         -1.74874708
     1          2.91210222         -2.65662609          0.30790623
     1         -3.83603400         -0.29675280         -0.77353237
     1         -4.94469776         -1.54936504          2.11201673
     1         -4.03883873         -3.58488625         -0.37401979

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.130410D+01      0.331469D+01      0.110566D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.130410D+01      0.331469D+01      0.110566D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.814059D+02      0.120631D+02      0.134220D+02
   aniso      0.127783D+02      0.189355D+01      0.210685D+01
   xx         0.763263D+02      0.113104D+02      0.125845D+02
   yx         0.432569D+01      0.641001D+00      0.713210D+00
   yy         0.817275D+02      0.121108D+02      0.134750D+02
   zx        -0.315101D+01     -0.466932D+00     -0.519532D+00
   zy         0.123097D+01      0.182411D+00      0.202959D+00
   zz         0.861640D+02      0.127682D+02      0.142065D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.869232D+02      0.128807D+02      0.143317D+02
   aniso      0.138343D+02      0.205003D+01      0.228096D+01
   xx         0.812983D+02      0.120472D+02      0.134043D+02
   yx         0.445814D+01      0.660629D+00      0.735049D+00
   yy         0.869509D+02      0.128848D+02      0.143363D+02
   zx        -0.331027D+01     -0.490531D+00     -0.545790D+00
   zy         0.121573D+01      0.180153D+00      0.200447D+00
   zz         0.925204D+02      0.137101D+02      0.152546D+02

 ----------------------------------------------------------------------
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 Where a calculator on the ENIAC is equipped with 18,000
 vacuum tubes and weighs 30 tons, computers inthe future
 may  have only 1,000 vacuum tubes and weigh only 1 1/2 tons.
              ---Popular Mechanics, March 1949
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